SCHEMBL8025530

SCHEMBL8025530

Fc1ccc(CN2CCC(N3c4ccccc4CSc4ccccc43)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
TSHR P16473 1/20 0.49
DRD2 P14416 4/20 0.44
DRD4 P21917 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL8025512 0.91 OPRL1 (0.60) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8025463 0.86 OPRM1 (0.50) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8008100 0.80 DRD4 (0.45) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8020392 0.76 ALDH1A1 (0.42) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8018967 0.75 KCNH2 (0.45) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8022964 0.75 OPRM1 (0.42) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8018527 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL8018530 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL5872151 0.73 DRD2 (0.50) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8021216 0.73 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063779-A CARDIOVASCULAR DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2000-05-16 US disclosed
EP-0878475-A2 5-(4-Piperidinyl)dibenzothiazepine derivatives and 5-(4-piperidinyl)dibenzoxazepine derivatives, and antiarrhythmic agents Meiji Seika Kaisha, Ltd. (JP) 1998-11-18 EP disclosed