SCHEMBL13675146

SCHEMBL13675146

CC(C)(C)OC(=O)N1C[C@@H](N)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
AR P10275 2/20 0.38

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
SCHEMBL4496265 0.89 F10 (0.56) F10
SCHEMBL13675127 0.84 F10 (0.44) F10
SCHEMBL13674875 0.84 F10 (0.44) F10
SCHEMBL13672293 0.82 F10 (0.53) F10
SCHEMBL4492159 0.82 F10 (0.53) F10
SCHEMBL4492161 0.82 F10 (0.53) F10
SCHEMBL13674870 0.81 F10 (0.62) F10
SCHEMBL4961883 0.78 F10 (0.70) F10
SCHEMBL13675120 0.77 CYP1A2 (0.45) F10CYP1A2POLBCYP3A4CYP2C19
SCHEMBL13675148 0.75 F10 (0.44) 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