SCHEMBL3801758

SCHEMBL3801758

Nc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.61
TDO2 P48775 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE8B O95263 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
SCHEMBL8511570 0.82 GRM2 (0.61) GRM2TDO2ADORA3ADORA2AADORA2B
SCHEMBL13726598 0.82 GRM2 (0.61) GRM2TDO2
SCHEMBL8511014 0.82 GRM2 (0.61) GRM2TDO2
SCHEMBL9604229 0.82 GRM2 (0.61) GRM2TDO2
SCHEMBL8510414 0.79 GRM2 (0.67) GRM2TDO2
SCHEMBL25429341 0.78 GRM2 (0.57) GRM2
SCHEMBL31339740 0.78 GRM2 (0.57) GRM2
SCHEMBL9896222 0.77 GRM2 (0.63) GRM2TDO2ADORA3ADORA2AADORA2B
SCHEMBL8509657 0.77 GRM2 (0.54) GRM2
SCHEMBL7803229 0.77 GRM2 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114726-A1 AMINOBENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed