SCHEMBL3475484

SCHEMBL3475484

Clc1c(-c2ccccn2)ccc2c1nnn2CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.54
L3MBTL1 Q9Y468 2/20 0.40
TDO2 P48775 3/20 0.39
GPR39 O43194 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
SCHEMBL3476566 0.81 GRM2 (0.52) GRM2TDO2
SCHEMBL7822106 0.81 GRM2 (0.56) GRM2TDO2
SCHEMBL3474857 0.80 GRM2 (0.55) GRM2TDO2
SCHEMBL3475603 0.79 GRM2 (0.54) GRM2TDO2
SCHEMBL3474734 0.79 GRM2 (0.52) GRM2
SCHEMBL13825103 0.77 GRM2 (0.50) GRM2TDO2
SCHEMBL3475163 0.77 GRM2 (0.65) GRM2TDO2
SCHEMBL3476498 0.76 GRM2 (0.51) GRM2TDO2
SCHEMBL3475356 0.76 GRM2 (0.54) GRM2TDO2
SCHEMBL3477057 0.76 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