SCHEMBL4699722

SCHEMBL4699722

FC(F)(F)c1ccc(Cl)c(-n2nnc(-c3ccccn3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.50
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4702397 0.84 GRM5 (0.60) GRM5
SCHEMBL4698548 0.81 GRM5 (0.60) GRM5
SCHEMBL4698737 0.79 GRM5 (0.68) GRM5
SCHEMBL4698623 0.79 GRM5 (0.61) GRM5
SCHEMBL4701922 0.76 GRM5 (0.60) GRM5
SCHEMBL13683867 0.76 GRM5 (0.69) GRM5NPC1RAB9A
SCHEMBL4698881 0.75 GRM5 (0.69) GRM5
SCHEMBL4703776 0.75 GRM5 (0.48) GRM5
SCHEMBL4701486 0.75 NPC1 (0.67) GRM5NPC1MAPK1RAB9A
SCHEMBL4703183 0.75 GRM5 (0.59) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434773-B1 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2008-05-21 EP claimed
EP-1434773-B1 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed