SCHEMBL2563281

SCHEMBL2563281

CC1(C)CNC(=O)N1c1ncc(C#Cc2cc(F)ccc2F)cn1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.64

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
SCHEMBL2520351 0.82 GRM5 (0.72) GRM5
SCHEMBL2516636 0.79 GRM5 (0.72) GRM5
SCHEMBL2521614 0.78 GRM5 (1.00) GRM5
SCHEMBL13518483 0.78 GRM5 (0.69) GRM5
SCHEMBL2519712 0.77 GRM5 (1.00) GRM5
SCHEMBL2515088 0.77 GRM5 (1.00) GRM5
SCHEMBL2518233 0.76 GRM5 (1.00) GRM5
SCHEMBL2516191 0.74 GRM5 (1.00) GRM5
SCHEMBL2516192 0.74 GRM5 (1.00) GRM5
SCHEMBL2574832 0.74 GRM5 (0.65) 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 disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed