SCHEMBL8025512

SCHEMBL8025512

c1ccc(CN2CCC(N3c4ccccc4CSc4ccccc43)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
SIGMAR1 Q99720 2/20 0.48
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
ACHE P22303 1/20 0.44
CHRM3 P20309 1/20 0.44
CCR3 P51677 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
KDM1A O60341 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
SCHEMBL8025530 0.91 OPRM1 (0.50) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8025463 0.91 OPRM1 (0.50) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8008100 0.83 DRD4 (0.45) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8022964 0.83 OPRM1 (0.42) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8018527 0.80 OPRM1 (0.52) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8018530 0.80 OPRM1 (0.52) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8020392 0.80 ALDH1A1 (0.42) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL8018967 0.79 KCNH2 (0.45) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL8022963 0.78 OPRM1 (0.40) OPRL1OPRM1OPRK1DRD2DRD4
SCHEMBL8021216 0.77 DRD2 (0.41) OPRL1OPRM1OPRK1DRD2DRD4

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