SCHEMBL6400864

SCHEMBL6400864

O=C(COc1ccc(O)c(O)c1)N(Cc1cccs1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 15/20 0.74
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL30582823 0.87 TRPM8 (0.83) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2718096 0.87 TRPM8 (0.83) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2719225 0.86 TRPM8 (0.79) TRPM8GAASMN1; SMN2TP53THRB
SCHEMBL30582810 0.86 TRPM8 (0.79) TRPM8GAASMN1; SMN2TP53THRB
SCHEMBL6408147 0.86 TRPM8 (0.72) TRPM8TP53THRB
SCHEMBL2718577 0.85 TRPM8 (0.80) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30582876 0.85 TRPM8 (0.80) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2720202 0.85 TRPM8 (0.80) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30582847 0.85 TRPM8 (0.80) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17230197 0.85 TRPM8 (0.84) TRPM8GAASMN1; SMN2TP53THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061698-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-09-13 WO disclosed
WO-2012061698-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-05-10 WO disclosed