SCHEMBL13675128

SCHEMBL13675128

CN1C[C@@H](N)C[C@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.58

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
SCHEMBL76979 0.82 F10 (0.84) F10
SCHEMBL76139 0.82 F10 (0.84) F10
SCHEMBL6012138 0.82 F10 (0.57) F10
SCHEMBL13674874 0.82 F10 (0.44) F10
SCHEMBL4490804 0.78 F10 (0.61) F10
SCHEMBL92845 0.78 F10 (0.69) F10
SCHEMBL3096835 0.77 F10 (0.77) F10
SCHEMBL85069 0.77 F10 (0.65) F10
SCHEMBL3557814 0.77 F10 (0.55) F10
SCHEMBL5605979 0.76 F10 (0.50) 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