SCHEMBL14415580

SCHEMBL14415580

C[C@H](N)CC(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
AOC3 Q16853 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ACP3 P15309 1/20 0.41
TACR1 P25103 2/20 0.41

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
SCHEMBL14415582 1.00 PNMT (0.55) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL14415581 1.00 PNMT (0.55) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL6348596 0.79 SLC6A2 (0.41) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL2032469 0.78 ADRB2 (0.54) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL30504213 0.78 ADRB2 (0.54) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL382596 0.78 ADRB2 (0.54) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL148751 0.78 ADRB2 (0.54) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL13666761 0.78 ADRB2 (0.54) PNMTOPRM1OPRD1OPRK1OPRL1
SCHEMBL6001243 0.78 IDO1 (0.46) OPRM1OPRD1OPRK1OPRL1AOC3
Hydrochloric Acid SCHEMBL4559164 0.78 IDO1 (0.50) OPRK1SLC6A2SLC6A3SLC6A4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
EP-1749522-A2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-02-07 EP disclosed