SCHEMBL6925970

SCHEMBL6925970

N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)N(C=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.42
LAP3 P28838 6/20 0.41
LTA4H P09960 2/20 0.41
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ABCB1 P08183 1/20 0.36
CSNK1E P49674 1/20 0.35
ANPEP P15144 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6931771 0.84 SLC15A1 (0.39) SLC15A1LAP3LTA4HALPIPKM
SCHEMBL8660600 0.82 ABCB1 (0.37) MEN1KMT2AABCB1
SCHEMBL7273532 0.78 ABCB1 (0.40) SLC15A1LAP3LTA4HSLC1A3SLC1A2
SCHEMBL10686536 0.76 CYP1A2 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7289391 0.76 ABCB1 (0.39) SLC15A1LAP3LTA4HSLC1A3SLC1A2
SCHEMBL7190709 0.74 EPHX1 (0.58) SLC15A1LAP3SLC1A3SLC1A2SLC1A1
SCHEMBL9740410 0.74 EPHX1 (0.58) SLC15A1LAP3SLC1A3SLC1A2SLC1A1
SCHEMBL6446370 0.74 EPHX1 (0.58) SLC15A1LAP3SLC1A3SLC1A2SLC1A1
SCHEMBL6445044 0.74 EPHX1 (0.58) SLC15A1LAP3SLC1A3SLC1A2SLC1A1
SCHEMBL6929688 0.74 EPHX1 (0.58) SLC15A1LAP3SLC1A3SLC1A2SLC1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801640-B1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME USA (US) 2003-03-26 EP claimed
US-5925780-A VIRICIDES FOR RETROVIRAL SPECIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-07-20 US claimed
EP-0801640-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-10-22 EP claimed
WO-1996019437-A9 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME 1996-09-06 WO claimed
WO-1996019437-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-27 WO claimed
EP-0801640-B1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME USA (US) 2003-03-26 EP disclosed
US-6066656-A IN VITRO METHOD OF ASSAYING FOR ANTIRETROVIRAL ACTIVITY OF A COMPOUND BY MEASURING THE FLUORESCENCE OF A FLUORESCENT COMPOUND, MEASURING THE CHANGE IN FLUORESCENCE OF SAID COMPOUND IN THE PRESENCE OF A RETROVIRAL PROTEASE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed
US-5925780-A VIRICIDES FOR RETROVIRAL SPECIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-07-20 US disclosed
US-5763464-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-09 US disclosed
US-5728718-A RETROVIRAL PROTEASE INHIBITOR; TREATMENT OF HTLV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-03-17 US disclosed
EP-0801640-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-10-22 EP disclosed
WO-1997019061-A1 RETROVIRAL AGENTS CONTAINING ANTHRANILAMIDE, SUBSTITUTED BENZAMIDE AND OTHER SUBUNITS, AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-29 WO disclosed
WO-1996019437-A9 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME 1996-09-06 WO disclosed
WO-1996019437-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-27 WO disclosed