SCHEMBL370399

SCHEMBL370399

CC1Cc2sc(Nc3ncccn3)nc2-c2cn[nH]c21.Cc1ccnc(Nc2nc3c(s2)CC(C)c2[nH]ncc2-3)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 19/20 0.61
KCNH2 Q12809 3/20 0.51
GRM8 O00222 1/20 0.46
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL360277 0.97 GRM4 (0.64) GRM4KCNH2GRM8NPC1PKM
SCHEMBL360655 0.92 GRM4 (0.61) GRM4KCNH2
SCHEMBL370211 0.87 GRM4 (0.67) GRM4KCNH2GRM8NPC1PKM
SCHEMBL368818 0.84 GRM4 (0.63) GRM4KCNH2GRM8NPC1PKM
SCHEMBL369716 0.84 GRM4 (0.63) GRM4KCNH2GRM8NPC1PKM
SCHEMBL368817 0.84 GRM4 (0.63) GRM4KCNH2GRM8NPC1PKM
SCHEMBL370251 0.83 GRM4 (0.59) GRM4KCNH2GRM8NPC1PKM
SCHEMBL370460 0.82 GRM4 (0.71) GRM4KCNH2GRM8NPC1PKM
SCHEMBL370372 0.80 GRM4 (0.66) GRM4KCNH2GRM8NPC1PKM
SCHEMBL369375 0.80 GRM4 (0.55) GRM4KCNH2GRM8NPC1PKM

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 disclosed
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 disclosed