SCHEMBL2571334

SCHEMBL2571334

CN1C(=O)N(c2ccc(C#Cc3cc(F)ccc3F)cn2)CCC1(C)C.CN1C(=O)N(c2ccc(C#Cc3ccc(F)cc3)cn2)CCC1(C)C

nearest known ligand 0.96

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.96

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
SCHEMBL2518845 0.98 GRM5 (1.00) GRM5
SCHEMBL2520563 0.91 GRM5 (1.00) GRM5
SCHEMBL2515088 0.87 GRM5 (1.00) GRM5
SCHEMBL2516161 0.83 GRM5 (1.00) GRM5
SCHEMBL2524522 0.81 GRM5 (1.00) GRM5
SCHEMBL2518805 0.81 GRM5 (1.00) GRM5
SCHEMBL2516713 0.81 GRM5 (1.00) GRM5
SCHEMBL2521614 0.79 GRM5 (1.00) GRM5
SCHEMBL17554665 0.79 GRM5 (0.67) GRM5
SCHEMBL12235378 0.79 GRM5 (0.72) 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-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP claimed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO claimed