SCHEMBL4393514

SCHEMBL4393514

Nc1ccnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)C(C(=O)N4CCOCC4)C3=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52

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
SCHEMBL4391326 0.84 F10 (0.59) F10
SCHEMBL1653048 0.84 F10 (0.59) F10
SCHEMBL1652174 0.82 F10 (0.66) F10
SCHEMBL1651785 0.79 F10 (0.80) F10
SCHEMBL1651698 0.75 F10 (0.72) F10
SCHEMBL4393927 0.75 F10 (0.72) F10
SCHEMBL1652781 0.74 F10 (0.69) F10
SCHEMBL4390968 0.74 F10 (0.74) F10
SCHEMBL1651748 0.74 F10 (0.74) F10
SCHEMBL1386710 0.74 F10 (0.51) 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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US claimed