SCHEMBL8993096

SCHEMBL8993096

ClCc1ccc(Cc2cccc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
TAAR1 Q96RJ0 3/20 0.48
LTA4H P09960 1/20 0.48
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.45
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
PGR P06401 1/20 0.44
MAOB P27338 1/20 0.43
CHRM2 P08172 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2093970 0.87 PNMT (0.56) PNMTTAAR1LTA4HCYP3A4IDO1
SCHEMBL3300276 0.87 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL3301781 0.85 PNMT (0.58) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL195102 0.84
SCHEMBL30181552 0.84
Ammonia Solution, Strong SCHEMBL18010559 0.83 PNMT (0.56) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL27645368 0.82 PNMT (0.60) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL5343562 0.82 PNMT (0.60) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL14396813 0.82 MEN1 (0.51) PNMTTAAR1LTA4HCYP3A4IDO1
SCHEMBL22040237 0.82 TAAR1 (0.52) PNMTTAAR1LTA4HCYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed