SCHEMBL1027594

SCHEMBL1027594

O=C(Nc1ccc(Cl)cn1)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.73
KCNH2 Q12809 1/20 0.69

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
SCHEMBL1031780 1.00 F10 (0.73) F10KCNH2
SCHEMBL1026911 1.00 F10 (0.73) F10KCNH2
SCHEMBL8261715 0.89 F10 (0.75) F10KCNH2
SCHEMBL1027607 0.89 F10 (0.75) F10KCNH2
SCHEMBL8262235 0.89 F10 (0.75) F10KCNH2
SCHEMBL3957940 0.89 F10 (0.75) F10KCNH2
SCHEMBL1027609 0.89 F10 (0.75) F10KCNH2
SCHEMBL12955988 0.89 F10 (0.77) F10KCNH2
SCHEMBL1030507 0.89 F10 (0.77) F10KCNH2
SCHEMBL8262259 0.89 F10 (0.74) F10KCNH2

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
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed