SCHEMBL8963892

SCHEMBL8963892

CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)N2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.68
CYP2D6 P10635 1/20 0.61
CYP19A1 P11511 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.48
NR1I2 O75469 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CNR1 P21554 1/20 0.48
HRH1 P35367 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
GHSR Q92847 1/20 0.48
MAOA P21397 1/20 0.48
HPGD P15428 1/20 0.47
OPRM1 P35372 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
SCHEMBL5106757 0.82 CYP2D6 (0.61) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL8964096 0.80 OPRD1 (0.57) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL8963511 0.79 CYP2D6 (0.67) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL1743579 0.77 MEN1 (0.72) OPRD1CYP2D6CYP19A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5011277 0.76 MEN1 (0.70) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL8240207 0.76 OPRD1 (0.46) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL336219 0.76 CYP2D6 (0.67) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL15100999 0.76 CYP2D6 (0.67) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL1137956 0.76 CYP2D6 (1.00) OPRD1CYP2D6CYP19A1MEN1KMT2A
SCHEMBL8122955 0.75 OPRD1 (0.65) OPRD1CYP2D6CYP19A1MEN1KMT2A

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