SCHEMBL11145331

SCHEMBL11145331

CC(c1ccccc1)C1(O)CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRL1 P41146 6/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.36
MC4R P32245 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL17086668 0.75 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL17086663 0.75 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL23514871 0.72 TSHR (0.34)
SCHEMBL17086664 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL19494132 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL17086651 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL17086666 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL17086655 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL5866507 0.71 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1CYP2D6
SCHEMBL9717862 0.71 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2

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-4386127-A SYNTHETIC LEATHER; SUEDE TORAY INDUSTRIES, INC. (JP) 1983-05-31 US disclosed