SCHEMBL5742587

SCHEMBL5742587

CCOC(=O)N(Cc1ccc(OC)cc1)C1CCCC(O)(C#Cc2cccc(C)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.49

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
SCHEMBL989486 0.77 GRM5 (0.58) GRM5
SCHEMBL1691942 0.76 GRM5 (0.57) GRM5
SCHEMBL16390667 0.75 GRM5 (0.49) GRM5
SCHEMBL5744089 0.73 GRM5 (0.52) GRM5
SCHEMBL990721 0.72 GRM5 (0.56) GRM5
SCHEMBL990033 0.72 GRM5 (0.58) GRM5
SCHEMBL990047 0.70 GRM5 (0.53) GRM5
SCHEMBL2813707 0.68 GRM5 (0.56) GRM5
SCHEMBL1897459 0.68 GRM5 (0.56) GRM5
SCHEMBL992059 0.68 GRM5 (0.57) 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-1453512-B1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2006-05-31 EP claimed