SCHEMBL7000993

SCHEMBL7000993

CC1CNC(c2ccc(CN3C(=O)CN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)C[C@@H]3C(=O)O)cc2)=N1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.62
F2 P00734 2/20 0.42

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
SCHEMBL6997757 0.83 F10 (0.66) F10F2
SCHEMBL7002616 0.83 KCNH2 (0.56) F10
SCHEMBL6696436 0.82 F10 (0.72) F10F2
SCHEMBL6696448 0.81 F10 (0.64) F10F2
SCHEMBL6697949 0.80 F10 (0.64) F10
SCHEMBL6697983 0.80 F10 (0.69) F10
SCHEMBL6697986 0.79 F10 (0.63) F10
SCHEMBL1651371 0.78 F10 (0.82) F10
SCHEMBL4385622 0.78 F10 (0.82) F10
SCHEMBL1652020 0.78 F10 (0.82) 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 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