SCHEMBL2556878

SCHEMBL2556878

CC(C)N1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C.CC(C)N1C(=O)N(c2ncc(C#Cc3cccc(F)c3)cn2)CC1(C)C.CCN1C(=O)N(c2ncc(C#Cc3ccc(F)cc3)cn2)CC1(C)C

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.82

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
SCHEMBL2522843 0.91 GRM5 (1.00) GRM5
SCHEMBL2519547 0.89 GRM5 (1.00) GRM5
SCHEMBL2521539 0.87 GRM5 (1.00) GRM5
SCHEMBL2520870 0.85 GRM5 (1.00) GRM5
SCHEMBL12234572 0.79 GRM5 (0.73) GRM5
SCHEMBL2518079 0.79 GRM5 (1.00) GRM5
SCHEMBL2519708 0.78 GRM5 (1.00) GRM5
SCHEMBL12235268 0.78 GRM5 (0.73) GRM5
SCHEMBL12235893 0.75 GRM5 (0.73) GRM5
SCHEMBL12235354 0.74 GRM5 (0.73) 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