SCHEMBL2579909

SCHEMBL2579909

Cn1ccc(C#Cc2ccc(N3CC(C)(C)OC3=O)nc2)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.74

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
SCHEMBL2516178 0.85 GRM5 (1.00) GRM5
SCHEMBL2519581 0.83 GRM5 (1.00) GRM5
SCHEMBL2516920 0.83 GRM5 (1.00) GRM5
SCHEMBL2520135 0.82 GRM5 (1.00) GRM5
SCHEMBL2518412 0.82 GRM5 (1.00) GRM5
SCHEMBL2522741 0.82 GRM5 (0.76) GRM5
SCHEMBL2520807 0.81 GRM5 (1.00) GRM5
SCHEMBL2520826 0.80 GRM5 (1.00) GRM5
SCHEMBL2516840 0.78 GRM5 (1.00) GRM5
SCHEMBL2520664 0.78 GRM5 (1.00) 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