SCHEMBL7006201

SCHEMBL7006201

CCC(=Nc1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCC(C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.59
KCNH2 Q12809 1/20 0.45
KLK1 P06870 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6700865 0.85 F10 (0.59) F10KCNH2
SCHEMBL6700862 0.85 F10 (0.82) F10KCNH2KLK1
SCHEMBL7009761 0.83 F10 (0.59) F10
SCHEMBL6703033 0.80 F10 (0.56) F10KCNH2MEN1RAB9AKMT2A
SCHEMBL6703037 0.80 F10 (0.56) F10KCNH2MEN1RAB9AKMT2A
SCHEMBL7006197 0.79 F10 (0.74) F10KCNH2MEN1RAB9AKMT2A
SCHEMBL5327935 0.77 F10 (0.71) F10KCNH2
SCHEMBL6698359 0.76 F10 (0.85) F10KCNH2KLK1
SCHEMBL4938904 0.75 F10 (0.55) F10KLK1KMT2A
SCHEMBL7002874 0.75 F10 (1.00) F10KCNH2KLK1

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