SCHEMBL7002616

SCHEMBL7002616

CC1CNC(c2ccc(CN3C(=O)CN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C(=O)O)cc2)=N1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
F10 P00742 19/20 0.49
KLK1 P06870 1/20 0.40

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
SCHEMBL7000993 0.83 F10 (0.62) F10
SCHEMBL6702010 0.83 F10 (0.72) KCNH2F10KLK1
SCHEMBL6698016 0.80 KCNH2 (0.83) KCNH2F10KLK1
SCHEMBL6697387 0.80 KCNH2 (0.67) KCNH2F10KLK1
SCHEMBL6698024 0.79 KCNH2 (0.61) KCNH2F10KLK1
SCHEMBL6697976 0.78 F10 (0.71) KCNH2F10
SCHEMBL6703461 0.78 F10 (0.71) KCNH2F10
SCHEMBL6695164 0.78 F10 (0.71) KCNH2F10
SCHEMBL6696428 0.77 KCNH2 (0.71) KCNH2F10
SCHEMBL6697977 0.77 KCNH2 (0.55) KCNH2F10KLK1

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