Sugi Predict

Sugi Predict / Compounds / SCHEMBL3475356

SCHEMBL3475356

SCHEMBL3475356

Clc1c(-c2cccs2)ccc2c1nnn2CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 14/20 0.54
▸ PDE8B O95263 1/20 0.37
▸ TDO2 P48775 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL7816041 0.80 GRM2 (0.59) GRM2TDO2
SCHEMBL3475603 0.79 GRM2 (0.54) GRM2TDO2
SCHEMBL3476571 0.78 GRM2 (0.53) GRM2PDE8BTDO2
SCHEMBL3474857 0.77 GRM2 (0.55) GRM2TDO2
SCHEMBL3474795 0.77 GRM2 (0.62) GRM2TDO2
SCHEMBL3476639 0.76 GRM2 (0.54) GRM2TDO2
SCHEMBL3475484 0.76 GRM2 (0.54) GRM2TDO2
SCHEMBL3475381 0.76 GRM2 (0.53) GRM2TDO2
SCHEMBL3476373 0.76 GRM2 (0.53) GRM2TDO2
SCHEMBL7816044 0.76 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