SCHEMBL11024786

SCHEMBL11024786

COc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC2COc3ccc(F)cc3O2)CC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
DRD2 P14416 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
CHRM1 P11229 2/20 0.49
KCNH2 Q12809 1/20 0.47
HSD11B1 P28845 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL11023265 0.97 OPRM1 (0.52) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11027089 0.91 CHRM1 (0.55) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11030889 0.90 OPRM1 (0.56) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11026375 0.90 OPRM1 (0.55) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11025859 0.90 OPRM1 (0.60) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11022277 0.89 CHRM1 (0.54) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11025132 0.88 OPRM1 (0.60) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11024114 0.88 OPRM1 (0.54) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11027688 0.87 OPRM1 (0.53) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11024054 0.87 DRD2 (0.55) OPRM1DRD2HTR1AHTR2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed