SCHEMBL6925966

SCHEMBL6925966

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.56
CTRB1 P17538 2/20 0.54
TACR1 P25103 2/20 0.52
LTA4H P09960 2/20 0.50
CTSL P07711 2/20 0.50
CTSD P07339 2/20 0.50
LAP3 P28838 1/20 0.50
CTSB P07858 2/20 0.49
CTSK P43235 3/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL15241328 1.00 TRPM8 (0.56) TRPM8CTRB1TACR1LTA4HCTSL
SCHEMBL4949767 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL5916913 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL9421829 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL7337287 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL2736202 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL2736218 0.92 TRPM8 (0.64) TRPM8CTRB1TACR1CTSLCTSD
SCHEMBL7341438 0.89 CYP3A4 (0.56) TRPM8CTRB1CTSLCTSBALDH1A1
SCHEMBL7333846 0.89 CYP3A4 (0.56) TRPM8CTRB1CTSLCTSBALDH1A1
SCHEMBL7342149 0.88 CTSD (0.68) TRPM8CTSLCTSDCTSS

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