SCHEMBL4698325

SCHEMBL4698325

Clc1cc(Br)cc(-c2nnn(-c3ccccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.53
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14200523 0.85 GRM5 (0.53) GRM5NPC1RAB9AMAPTPKM
SCHEMBL4700157 0.83 GRM5 (0.67) GRM5NPC1RAB9A
SCHEMBL4698743 0.83 GRM5 (0.67) GRM5NPC1RAB9AMAPTPKM
SCHEMBL4701228 0.81 GRM5 (0.72) GRM5
SCHEMBL13683938 0.81 GRM5 (0.53) GRM5NPC1RAB9AMAPT
SCHEMBL13683904 0.78 GRM5 (0.57) GRM5NPC1RAB9AMAPTPKM
SCHEMBL13683903 0.77 GRM5 (0.46) GRM5NPC1RAB9AMAPT
SCHEMBL4700359 0.76 GRM5 (0.54) GRM5NPC1RAB9AMAPT
SCHEMBL13684502 0.76 GRM5 (0.45) GRM5NPC1RAB9AMAPTPKM
SCHEMBL4702208 0.71 GRM5 (0.58) 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
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
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