SCHEMBL11890751

SCHEMBL11890751

O=NCCCC1OCCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.66
F2 P00734 2/20 0.63
ABCB11 O95342 1/20 0.63
ST14 Q9Y5Y6 1/20 0.63

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
SCHEMBL15475575 0.91 F10 (0.69) F10F2ABCB11ST14
SCHEMBL11890741 0.91 F10 (0.65) F10
SCHEMBL11890743 0.85 F10 (0.58) F10F2ABCB11ST14
SCHEMBL11890685 0.85 F10 (0.69) F10F2ABCB11ST14
SCHEMBL15475586 0.84 F10 (0.60) F10F2ABCB11ST14
SCHEMBL28404065 0.84 F10 (0.76) F10F2ABCB11ST14
SCHEMBL15475736 0.82 F10 (0.68) F10
SCHEMBL87006 0.80 F10 (1.00) F10F2ABCB11ST14
SCHEMBL79715 0.79 F10 (1.00) F10F2ABCB11ST14
SCHEMBL1023222 0.79 F10 (0.85) F10F2ABCB11ST14

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
WO-2012098089-A1 BINDING PROTEINS TO INHIBITORS OF COAGULATION FACTORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 WO disclosed