SCHEMBL6959170

SCHEMBL6959170

NC(Cl)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PNMT P11086 3/20 0.42
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.39
TACR1 P25103 2/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
EPHX1 P07099 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8714680 0.78 PNMT (0.67) PNMTSLC6A4SLC6A2SLC6A3
SCHEMBL1570139 0.78 PNMT (0.71) IDO1PNMTTACR1CYP3A4HTR3E
SCHEMBL1077215 0.75 SLC6A4 (0.70) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL1047496 0.75 SLC6A4 (0.70) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL5018736 0.72 PNMT (0.43) IDO1PNMTTSHRSLC6A2SLC6A3
SCHEMBL1356942 0.72 SLC7A5 (0.57) CYP3A4L3MBTL1
SCHEMBL1356944 0.72 SLC7A5 (0.57) CYP3A4L3MBTL1
SCHEMBL26431200 0.72 EPHX1 (0.46) IDO1PNMTHTR3EHTR3BHTR3A
SCHEMBL16759685 0.71 IDO1 (0.37) IDO1PNMTTSHRTACR1HTR3E
SCHEMBL17061809 0.71 IDO1 (0.37) IDO1PNMTTSHRTACR1HTR3E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed