SCHEMBL8963904

SCHEMBL8963904

COc1ccccc1C(c1ccccc1OC)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.56
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
SLC6A2 P23975 6/20 0.56
SLC6A4 P31645 6/20 0.56
KCNH2 Q12809 4/20 0.56
CYP2D6 P10635 3/20 0.56
HTR3A P46098 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
DRD2 P14416 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
HTR6 P50406 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL23293368 0.87 SLC6A2 (0.62) OPRD1OPRM1OPRK1OPRL1SLC6A2
SCHEMBL335012 0.85 SLC6A2 (0.54) SLC6A2SLC6A4KCNH2CYP2D6HTR3A
SCHEMBL31464112 0.85 SLC6A2 (0.54) SLC6A2SLC6A4KCNH2CYP2D6HTR3A
SCHEMBL3453995 0.81 SLC6A2 (0.61) SLC6A2SLC6A4KCNH2CYP2D6HTR3A
SCHEMBL9257361 0.79 OPRM1 (0.56) OPRD1OPRM1OPRK1OPRL1CYP2D6
SCHEMBL8963664 0.79 MEN1 (0.56) OPRD1OPRM1OPRK1OPRL1SLC6A2
SCHEMBL4558789 0.77 SLC6A2 (0.48) OPRD1OPRM1OPRK1OPRL1SLC6A2
SCHEMBL5450346 0.76 SLC6A2 (0.54) OPRD1OPRM1OPRK1OPRL1SLC6A2
SCHEMBL9186553 0.75 P4HB (0.44) OPRD1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL14593516 0.75 MC4R (0.74) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3

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