SCHEMBL4080649

SCHEMBL4080649

COc1cccc([C@@H](C)N(CC2CCNCC2c2ccccc2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
FFAR1 O14842 6/20 0.42
HSD17B2 P37059 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTR2C P28335 2/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL1096138 0.89 TRPM8 (0.42) TRPM8FFAR1HSD17B2MAPTPKM
SCHEMBL3579316 0.79 SSTR4 (0.41) MAPTPKM
SCHEMBL1096141 0.78 TRPM8 (0.43) TRPM8FFAR1HSD17B2MAPTPKM
SCHEMBL7884856 0.76 FFAR1 (0.48) TRPM8FFAR1HSD17B2HTR2C
SCHEMBL7884860 0.76 FFAR1 (0.48) TRPM8FFAR1HSD17B2HTR2C
SCHEMBL3570815 0.73 RPS6KB1 (0.38) HTR2C
SCHEMBL12496199 0.71 TRPM8 (0.43) TRPM8PKM
SCHEMBL4067653 0.71 SSTR4 (0.41) MAPTPKM
SCHEMBL1095799 0.70 MAPT (0.38) MAPTPKM
SCHEMBL4094874 0.69 SSTR4 (0.44)

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-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP disclosed