SCHEMBL6997757

SCHEMBL6997757

CC1CNC(c2ccc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3=O)cc2)=N1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.66
F2 P00734 2/20 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
SCHEMBL1653109 0.84 F10 (0.80) F10F2
SCHEMBL7000993 0.83 F10 (0.62) F10F2
SCHEMBL7004661 0.83 F10 (0.46) F10F2
SCHEMBL1654478 0.80 F10 (0.75) F10F2
SCHEMBL7004429 0.80 F10 (0.44) F10
SCHEMBL6693697 0.80 F10 (1.00) F10F2
SCHEMBL1651631 0.78 F10 (0.72) F10F2
SCHEMBL6693699 0.78 F10 (0.70) F10F2
SCHEMBL4392378 0.78 F10 (0.69) F10F2
SCHEMBL4397198 0.78 F10 (0.77) F10F2

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
EP-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 WO disclosed