SCHEMBL8964096

SCHEMBL8964096

CC(C)(C)c1cccc(C(c2cccc(C(C)(C)C)c2)N2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TACR1 P25103 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 2/20 0.44
USP2 O75604 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4152093 0.84 SLC6A4 (0.60) OPRD1MEN1KMT2ATACR1CYP2D6
SCHEMBL14747925 0.84 MEN1 (0.62) OPRD1MEN1KMT2ASLC6A4OPRM1
SCHEMBL4135481 0.81 MEN1 (0.66) OPRD1MEN1KMT2ATACR1SLC6A4
SCHEMBL8963892 0.80 OPRD1 (0.68) OPRD1MEN1KMT2ACYP2D6CYP19A1
SCHEMBL8963506 0.79 MEN1 (0.62) OPRD1MEN1KMT2ATACR1CYP2D6
SCHEMBL10357009 0.76 TACR1 (0.53) OPRD1MEN1KMT2ATACR1SLC6A4
SCHEMBL12065134 0.76 MEN1 (0.62) OPRD1MEN1KMT2ATACR1CYP2D6
SCHEMBL7101455 0.76 CYP2D6 (0.64) OPRD1MEN1KMT2ATACR1CYP2D6
SCHEMBL31023816 0.75 OPRD1 (0.65) OPRD1MEN1KMT2ATACR1CYP2D6
SCHEMBL8963947 0.75 OPRD1 (0.65) OPRD1MEN1KMT2ATACR1CYP2D6

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