SCHEMBL13337994

SCHEMBL13337994

I[C@H]1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
MAOA P21397 6/20 0.41
AOC2 O75106 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA2 P00918 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL1856315 1.00 MAOB (0.41) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL5722720 0.74 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL29935960 0.74 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL8471197 0.73 BRD4 (0.50) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL8470150 0.73 BRD4 (0.50) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL19268288 0.73 MAOA (0.45) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL3663270 0.73 MAOA (0.45) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL20801116 0.73 CHRM2 (0.45) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL765957 0.73 BRD4 (0.50) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL5779685 0.73 MAOB (0.41) MAOBMAOAAOC2CHRM2CHRM4

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
EP-2196206-A1 REMEDY FOR RELIEVING SKIN TROUBLES COMPRISING MORPHINAN DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE ACID ADDITION SALT THEREOF AS THE ACTIVE INGREDIENT Toray Industries, Inc. (JP) 2010-06-16 EP disclosed