SCHEMBL6433136

SCHEMBL6433136

O=C1CC(c2cccc(-n3nncc3CO)c2)=Nc2cc(N3CCS(=O)(=O)CC3)c(C(F)(F)F)cc2N1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46

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
SCHEMBL6164141 0.93 CYP3A4 (0.46) GRM2
SCHEMBL6168384 0.93 CYP3A4 (0.46) GRM2
SCHEMBL6434671 0.91
SCHEMBL6433638 0.85 CYP3A4 (0.49) GRM2
SCHEMBL6434143 0.85 CYP3A4 (0.49) GRM2
SCHEMBL6434101 0.85 CYP3A4 (0.62) GRM2
SCHEMBL6433497 0.83 GRM2 (0.64) GRM2
SCHEMBL6167287 0.83 CYP3A4 (0.49) GRM2
SCHEMBL6164959 0.83 CYP3A4 (0.44)
SCHEMBL6434141 0.81 GRM2 (0.64) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed