SCHEMBL17554665

SCHEMBL17554665

CN1C(=O)N(c2ccc(C#Cc3cc(F)ccc3F)cn2)C=CC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.67

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
SCHEMBL2520567 0.89 GRM5 (0.63) GRM5
SCHEMBL2518845 0.80 GRM5 (1.00) GRM5
SCHEMBL2571334 0.79 GRM5 (0.96) GRM5
SCHEMBL2516161 0.75 GRM5 (1.00) GRM5
SCHEMBL2520275 0.75 GRM5 (1.00) GRM5
SCHEMBL13519053 0.74 GRM5 (0.67) GRM5
SCHEMBL2524522 0.73 GRM5 (1.00) GRM5
SCHEMBL2521614 0.73 GRM5 (1.00) GRM5
SCHEMBL31338743 0.73 GRM5 (1.00) GRM5
SCHEMBL31338747 0.73 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed