Sugi Predict

Sugi Predict / Compounds / SCHEMBL6167094

SCHEMBL6167094

SCHEMBL6167094

FC(F)(F)c1cnc(Nc2ccc(-n3nnc(-c4ccccn4)n3)cn2)c(Cl)c1.N#Cc1cccc(-n2nnc(-c3ccc4ccccc4n3)n2)c1.c1ccc(-c2nnn(-c3ccc(Nc4cccnc4)nc3)n2)nc1.c1ccc(Nc2ccc(-n3nnc(-c4ccccn4)n3)cn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.44
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL4698807 0.78 NPC1 (0.46) GRM5
SCHEMBL4703654 0.71 GRM5 (0.66) GRM5
SCHEMBL1500029 0.69 GRM5 (0.65) GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL4699994 0.67 GRM5 (0.53) GRM5
SCHEMBL660355 0.67 GRM5 (1.00) GRM5
SCHEMBL4701515 0.66 GRM5 (0.77) GRM5
SCHEMBL4699662 0.65 GRM5 (0.64) GRM5
SCHEMBL4698873 0.64 GRM5 (0.74) GRM5
SCHEMBL4698390 0.63 GRM5 (0.77) GRM5
SCHEMBL4703402 0.62 GRM5 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434773-A4 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-01-12 — — EP claimed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 — — EP claimed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 — — WO claimed