SCHEMBL8025466

SCHEMBL8025466

CC(C(=O)O)N1CCC(N2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.46
▸ OPRK1 P41145 7/20 0.46
▸ OPRL1 P41146 7/20 0.46
▸ HSD17B3 P37058 1/20 0.43
▸ HTR1A P08908 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR1E P28566 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
SCHEMBL8025494 0.86 NPSR1 (0.43) OPRM1OPRK1OPRL1HSD17B3HTR1A
SCHEMBL8022963 0.78 OPRM1 (0.40) OPRM1OPRK1OPRL1HSD17B3HTR1A
SCHEMBL8020392 0.76 ALDH1A1 (0.42) OPRM1OPRK1OPRL1HSD17B3HTR1A
SCHEMBL8018517 0.76 GPR119 (0.46) HSD17B3
SCHEMBL8019199 0.75 HTR1A (0.40) OPRM1OPRK1OPRL1HSD17B3HTR1A
SCHEMBL12536832 0.75 KDM1A (0.54) OPRM1OPRK1OPRL1HTR1ACHRM5
SCHEMBL8020388 0.74 HTR1A (0.43) HSD17B3HTR1ACHRM5ADRA2ADRD2
SCHEMBL8025512 0.74 OPRL1 (0.60) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL8021216 0.73 DRD2 (0.41) OPRM1OPRK1OPRL1HSD17B3HTR1A
SCHEMBL8025493 0.72 NPSR1 (0.47) OPRM1OPRK1OPRL1HSD17B3HTR1A

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
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