SCHEMBL4703283

SCHEMBL4703283

COc1cc(-n2nnc(-c3ccccn3)n2)ccc1CN1C=NNN1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.52

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
SCHEMBL4703275 0.83 GRM5 (0.52) GRM5
SCHEMBL4699647 0.82 GRM5 (0.53) GRM5
SCHEMBL4699084 0.81 GRM5 (0.61) GRM5
SCHEMBL4698694 0.79 GRM5 (0.59) GRM5
SCHEMBL4700513 0.79 GRM5 (0.60) GRM5
SCHEMBL4703270 0.77 GRM5 (0.53) GRM5
SCHEMBL5401648 0.77 GRM5 (0.53) GRM5
SCHEMBL4702694 0.77 GRM5 (0.65) GRM5
SCHEMBL13683864 0.77 GRM5 (0.69) GRM5
SCHEMBL6694200 0.76 GRM5 (0.60) 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 1 patent. 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