SCHEMBL4700753

SCHEMBL4700753

N#Cc1ccc(-n2nnc(-c3ccccn3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.74
CHRNB2 P17787 1/20 0.59
CHRNA5 P30532 1/20 0.59
CHRNA4 P43681 1/20 0.59

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
SCHEMBL4703300 0.88 GRM5 (0.84) GRM5
SCHEMBL14437873 0.86 GRM5 (0.60) GRM5
SCHEMBL660355 0.85 GRM5 (1.00) GRM5
SCHEMBL4699251 0.84 GRM5 (0.76) GRM5
SCHEMBL4698598 0.83 GRM5 (0.74) GRM5
SCHEMBL3372897 0.82 GRM5 (0.66) GRM5
SCHEMBL4702869 0.82 GRM5 (0.75) GRM5
SCHEMBL4699120 0.82 GRM5 (0.75) GRM5
SCHEMBL660500 0.82 GRM5 (1.00) GRM5
SCHEMBL13683894 0.82 GRM5 (0.63) 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 2 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
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed