SCHEMBL13110326

SCHEMBL13110326

CO[C@H]1CN(CC(=O)Nc2ccc(N3CCOCC3=O)cc2)C[C@@H]1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.62
▸ ABCB11 O95342 1/20 0.53
▸ F2 P00734 1/20 0.53
▸ ST14 Q9Y5Y6 1/20 0.53
▸ PTGS2 P35354 1/20 0.48

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
SCHEMBL8260042 0.88 F10 (0.72) F10
SCHEMBL8256107 0.88 F10 (0.62) F10ABCB11F2ST14PTGS2
SCHEMBL8257264 0.84 F10 (0.68) F10ABCB11F2ST14PTGS2
SCHEMBL8259952 0.82 F10 (0.78) F10F2
SCHEMBL3450661 0.79 F10 (0.51) F10
SCHEMBL8260030 0.79 F10 (0.72) F10
SCHEMBL4028227 0.78 F10 (0.82) F10ABCB11F2ST14PTGS2
SCHEMBL13632180 0.78 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL4490845 0.78 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL4030183 0.77 F10 (1.00) F10ABCB11F2ST14PTGS2

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
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
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