SCHEMBL8963506

SCHEMBL8963506

Cc1cccc(C(c2cccc(C)c2)N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
OPRD1 P41143 13/20 0.54
OPRM1 P35372 4/20 0.54
OPRK1 P41145 2/20 0.54
OPRL1 P41146 2/20 0.54
ADRB1 P08588 1/20 0.53
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
TACR1 P25103 1/20 0.48
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29193473 0.85 ADRB1 (0.51) MEN1KMT2AADRB1CYP2D6TACR1
SCHEMBL27574148 0.81 MEN1 (0.42) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL18284687 0.80 ADRB1 (0.46) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL7101455 0.79 CYP2D6 (0.64) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL12065134 0.79 MEN1 (0.62) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL1742164 0.79 MEN1 (0.79) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL8964096 0.79 OPRD1 (0.57) MEN1KMT2AOPRD1OPRM1CYP2D6
SCHEMBL8963947 0.79 OPRD1 (0.65) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL31023816 0.79 OPRD1 (0.65) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL8963511 0.78 CYP2D6 (0.67) MEN1KMT2AOPRD1OPRM1OPRK1

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