SCHEMBL11097482

SCHEMBL11097482

Cc1ccc2c(c1)OCC(CN1CCC(n3c(=O)[nH]c4cc(Cl)c(Cl)cc43)CC1)O2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.58
CACNA1F O60840 2/20 0.56
CHRM1 P11229 2/20 0.56
ADRA1D P25100 2/20 0.56
HTR7 P34969 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
OPRD1 P41143 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
CACNA1D Q01668 2/20 0.56
CACNA1S Q13698 2/20 0.56
CACNA1C Q13936 2/20 0.56
DRD2 P14416 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CHRM2 P08172 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL11038144 0.91 OPRM1 (0.60) OPRM1CACNA1FCHRM1ADRA1DHTR7
SCHEMBL11023582 0.91 OPRM1 (0.54) OPRM1CACNA1FCHRM1ADRA1DHTR7
SCHEMBL11024904 0.90 HTR1A (0.57) OPRM1CACNA1FCHRM1ADRA1DHTR7
SCHEMBL11096216 0.89 OPRM1 (0.57) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11098562 0.87 OPRM1 (0.60) OPRM1DRD2HTR1AHTR2ADRD3
SCHEMBL11095945 0.87 DRD2 (0.62) OPRM1CACNA1FCHRM1ADRA1DHTR7
SCHEMBL11023574 0.87 CHRM1 (0.54) OPRM1CACNA1FCHRM1ADRA1DHTR7
SCHEMBL11040218 0.87 HTR1A (0.57) OPRM1CHRM1DRD2HTR1AHTR2A
SCHEMBL11099709 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1
SCHEMBL11097092 0.86 OPRM1 (0.53) OPRM1CACNA1FCHRM1ADRA1DHTR7

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 1 patent. 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