SCHEMBL11100748

SCHEMBL11100748

O=c1[nH]c2ccc(Cl)cc2n1C1CCN(CC2COc3ccccc3O2)CC1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.60
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
CHRM2 P08172 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50

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
Axamozide SCHEMBL11022863 0.93 OPRM1 (0.60) OPRM1HTR1ADRD2HTR2AHTR2C
Axamozide SCHEMBL11027857 0.92 OPRM1 (0.59) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11098294 0.90 OPRM1 (0.62) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11096216 0.90 OPRM1 (0.57) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11097925 0.89 OPRM1 (0.52) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11030479 0.89 CHRM1 (0.57) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11101914 0.88 OPRM1 (0.53) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL9943304 0.88 DRD2 (0.61) OPRM1HTR1ADRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL11096032 0.87 DRD2 (0.61) OPRM1HTR1ADRD2HTR2AHTR2C
SCHEMBL11028043 0.87 USP2 (0.58) HTR1ADRD2HTR2AHTR2CHTR2B

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-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