SCHEMBL3474800

SCHEMBL3474800

OCc1ccc(-c2ccc3c(nnn3CC3CC3)c2Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.48
TDO2 P48775 3/20 0.41

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
SCHEMBL3475400 0.85 GRM2 (0.43) GRM2TDO2
SCHEMBL3476057 0.84 GRM2 (0.46) GRM2TDO2
SCHEMBL3475333 0.83 GRM2 (0.42) GRM2TDO2
SCHEMBL3474606 0.81 GRM2 (0.50) GRM2TDO2
SCHEMBL13729030 0.81 GRM2 (0.40) GRM2TDO2
SCHEMBL3474126 0.76 GRM2 (0.47) GRM2TDO2
SCHEMBL7803229 0.75 GRM2 (0.51) GRM2TDO2
SCHEMBL3475674 0.75 GRM2 (0.51) GRM2TDO2
SCHEMBL3476006 0.75 GRM2 (0.46) GRM2TDO2
SCHEMBL7819934 0.75 GRM2 (0.53) 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