SCHEMBL370952

SCHEMBL370952

c1cnc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)nc1.c1cnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1

nearest known ligand 0.95

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 20/20 0.95
KCNH2 Q12809 3/20 0.95

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
SCHEMBL370495 0.98 GRM4 (1.00) GRM4KCNH2
SCHEMBL366686 0.95 GRM4 (1.00) GRM4KCNH2
SCHEMBL2575069 0.87 GRM4 (0.79) GRM4KCNH2
SCHEMBL6837098 0.87 GRM4 (0.83) GRM4KCNH2
SCHEMBL360041 0.86 GRM4 (0.79) GRM4KCNH2
SCHEMBL369330 0.84 GRM4 (1.00) GRM4KCNH2
SCHEMBL369389 0.84 GRM4 (1.00) GRM4KCNH2
SCHEMBL6837283 0.83 GRM4 (0.74) GRM4KCNH2
SCHEMBL370125 0.82 GRM4 (0.96) GRM4KCNH2
SCHEMBL369769 0.82 GRM4 (1.00) GRM4KCNH2

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-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP claimed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO claimed