SCHEMBL3475404

SCHEMBL3475404

COC(=O)c1ccc(-c2ccc3c(nnn3CC3CC3)c2Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.43
SCN9A Q15858 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
TDO2 P48775 1/20 0.36
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 1/20 0.35
SGK1 O00141 1/20 0.35
MAPK14 Q16539 1/20 0.35
PADI4 Q9UM07 1/20 0.35

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
SCHEMBL3476235 0.83 GRM2 (0.59) GRM2CRHR1
SCHEMBL3477150 0.82 GRM2 (0.43) GRM2
SCHEMBL3475381 0.78 GRM2 (0.53) GRM2TDO2
SCHEMBL3475606 0.76 GRM2 (0.49) GRM2TDO2SGK1MAPK14
SCHEMBL3476934 0.76 GRM2 (0.55) GRM2TDO2
SCHEMBL3476219 0.76 GRM2 (0.49) GRM2TDO2
SCHEMBL7808009 0.76 GRM2 (0.47) GRM2TDO2SGK1MAPK14
SCHEMBL3475824 0.75 GRM2 (0.49) GRM2
SCHEMBL3475409 0.75 GRM2 (0.53) GRM2TDO2MAPK14
SCHEMBL3474658 0.75 GRM2 (0.48) GRM2TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO claimed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 WO disclosed