SCHEMBL2650217

SCHEMBL2650217

O=C(c1ccccc1N(C(=O)Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2ncc[nH]2)s1)N(C(=O)Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2ncc[nH]2)s1)c1ccc(Cl)cc1C(=O)C1CCCC1)C1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.31

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
SCHEMBL4819855 0.92
SCHEMBL2650219 0.87 GRM4 (0.32) GRM4
SCHEMBL1342832 0.87 GRM4 (0.33) GRM4
SCHEMBL2650039 0.84 GAA (0.31)
SCHEMBL2651114 0.83
SCHEMBL1342251 0.82 ALDH1A1 (0.33) GRM4
SCHEMBL2651015 0.82 CASR (0.33)
SCHEMBL1342444 0.80 GRM4 (0.31) GRM4
SCHEMBL4819863 0.79 NTRK1 (0.33) GRM4
SCHEMBL1339918 0.79 NPC1 (0.33) GRM4

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed