SCHEMBL13674875

SCHEMBL13674875

CN1C[C@@H](N)C[C@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.44

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
SCHEMBL13675127 1.00 F10 (0.44) F10
SCHEMBL13674856 0.85 F10 (0.43) F10
SCHEMBL13675146 0.84 F10 (0.45) F10
SCHEMBL4504777 0.80 F10 (0.56) F10
SCHEMBL13672300 0.80 F10 (0.56) F10
SCHEMBL4493649 0.80 F10 (0.56) F10
SCHEMBL13675148 0.80 F10 (0.44) F10
SCHEMBL13674874 0.78 F10 (0.44) F10
SCHEMBL13674872 0.76 F10 (0.60) F10
SCHEMBL13674870 0.76 F10 (0.62) F10

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
US-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed