SCHEMBL254416

SCHEMBL254416

C=CN(C)C(=N)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.82
KCNH2 Q12809 9/20 0.82
F2 P00734 1/20 0.82

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
Betrixaban SCHEMBL158591 0.90 F10 (1.00) F10KCNH2F2
Betrixaban SCHEMBL29374026 0.90 F10 (1.00) F10KCNH2F2
Betrixaban SCHEMBL29858125 0.89 F10 (0.98) F10KCNH2F2
Betrixaban SCHEMBL20587589 0.87 F10 (0.90) F10KCNH2F2
Betrixaban SCHEMBL20587587 0.87 F10 (0.90) F10KCNH2F2
SCHEMBL22136974 0.87 F10 (0.83) F10KCNH2F2
SCHEMBL2607614 0.85 F10 (0.80) F10KCNH2F2
SCHEMBL890921 0.85 F10 (0.79) F10KCNH2F2
SCHEMBL2438967 0.84 F10 (0.79) F10KCNH2F2
SCHEMBL765235 0.84 F10 (0.85) F10KCNH2F2

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-2012031017-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed