SCHEMBL8963947

SCHEMBL8963947

COc1cccc(C(c2cccc(OC)c2)N2CCNCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.65
OPRM1 P35372 3/20 0.65
SLC6A2 P23975 3/20 0.60
SLC6A4 P31645 1/20 0.60
ADRB1 P08588 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
TACR1 P25103 1/20 0.52
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.47
HTR3A P46098 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 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
SCHEMBL31023816 1.00 OPRD1 (0.65) OPRD1OPRM1SLC6A2SLC6A4ADRB1
SCHEMBL13850281 0.86 SLC6A2 (0.59) OPRD1OPRM1SLC6A2SLC6A4ADRB1
SCHEMBL1741596 0.81 MEN1 (0.72) OPRD1OPRM1MEN1KMT2AOPRK1
SCHEMBL8713092 0.81 OPRM1 (0.63) OPRD1OPRM1SLC6A2SLC6A4OPRK1
SCHEMBL8122955 0.80 OPRD1 (0.65) OPRD1OPRM1ADRB1MEN1KMT2A
SCHEMBL10357009 0.79 TACR1 (0.53) OPRD1OPRM1SLC6A2SLC6A4MEN1
SCHEMBL8963506 0.79 MEN1 (0.62) OPRD1OPRM1ADRB1MEN1KMT2A
SCHEMBL16931643 0.78 OPRD1 (0.51) OPRD1OPRM1SLC6A2SLC6A4ADRB1
SCHEMBL16937150 0.78 OPRD1 (0.51) OPRD1OPRM1SLC6A2SLC6A4ADRB1
SCHEMBL31023958 0.76 CYP2D6 (0.51) OPRD1OPRM1SLC6A2SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed