SCHEMBL9682075

SCHEMBL9682075

Cc1cccc(C)c1OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL9450752 0.90 SLC6A2 (0.40) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL6966240 0.83 HSP90AA1 (0.36) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL6969377 0.81 OPRM1 (0.37) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL1769006 0.78 SLC6A3 (0.46) OPRM1CHRM2CHRM4CHRM5ADRA2A
SCHEMBL10808078 0.78 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL9596460 0.78 SLC6A2 (0.47) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL6968194 0.77 SCN9A (0.41) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL2911607 0.76 OPRM1 (0.48) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL10804626 0.75 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL1925083 0.75 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1SLC6A3

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed