SCHEMBL8025463

SCHEMBL8025463

c1ccc2c(c1)CSc1ccccc1N2C1CCN(Cc2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
TRPV6 Q9H1D0 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
OXTR P30559 1/20 0.40

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) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8025530 0.86 OPRM1 (0.50) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8008100 0.82 DRD4 (0.45) OPRM1OPRK1OPRL1PARP1SIGMAR1
SCHEMBL8020392 0.76 ALDH1A1 (0.42) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8018967 0.75 KCNH2 (0.45) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8022964 0.75 OPRM1 (0.42) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8018527 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8018530 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL8021216 0.73 DRD2 (0.41) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8008566 0.73 OPRM1 (0.46) OPRM1OPRK1OPRL1SIGMAR1DRD2

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