SCHEMBL8022964

SCHEMBL8022964

c1ccc(CN(CCN2CCC(N3c4ccccc4CSc4ccccc43)CC2)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.42
OPRL1 P41146 4/20 0.42
OPRK1 P41145 3/20 0.42
CHRM1 P11229 1/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38

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 0.83 OPRL1 (0.60) OPRM1OPRL1OPRK1HTR2ADRD2
SCHEMBL8021216 0.82 DRD2 (0.41) OPRM1OPRL1OPRK1HTR2AHTR7
SCHEMBL8025470 0.81 KDM1A (0.36) CHRM1HTR6SIGMAR1KDM1A
SCHEMBL8022963 0.78 OPRM1 (0.40) OPRM1OPRL1OPRK1CHRM1HTR2A
SCHEMBL8018967 0.77 KCNH2 (0.45) OPRM1OPRL1OPRK1CHRM1HTR2A
SCHEMBL8025530 0.75 OPRM1 (0.50) OPRM1OPRL1OPRK1HTR2ADRD2
SCHEMBL8025463 0.75 OPRM1 (0.50) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL8008566 0.74 OPRM1 (0.46) OPRM1OPRL1OPRK1CHRM1HTR2A
SCHEMBL8018527 0.74 OPRM1 (0.52) OPRM1OPRL1OPRK1CHRM1HTR2A
SCHEMBL8018530 0.74 OPRM1 (0.52) OPRM1OPRL1OPRK1CHRM1HTR2A

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