SCHEMBL7426463

SCHEMBL7426463

Nc1nc(C#Cc2ccc(-c3ccccc3)nc2)cs1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.74
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL31061061 0.85 GRM5 (1.00) GRM5
SCHEMBL7419236 0.85 GRM5 (1.00) GRM5
SCHEMBL6312183 0.79 GRM5 (0.69) GRM5ALDH1A1
SCHEMBL8233222 0.75 GRM5 (0.69) GRM5
SCHEMBL11966033 0.74 GRM5 (0.81) GRM5
SCHEMBL7420366 0.74 GRM5 (1.00) GRM5
SCHEMBL3458329 0.73 GRM5 (1.00) GRM5
SCHEMBL11966035 0.73 GRM5 (0.77) GRM5
SCHEMBL4158461 0.73 GRM5 (1.00) GRM5
SCHEMBL7424458 0.72 GRM5 (0.77) 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-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 WO disclosed