SCHEMBL6875834

SCHEMBL6875834

CC(C)N(C(=O)c1cc2nc(C(=O)O)ccc2n1Cc1cc(-c2ccc(Cl)s2)on1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.47
F2 P00734 2/20 0.46
KLK1 P06870 1/20 0.46

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
SCHEMBL6887051 0.86 F10 (0.59) F10F2KLK1
SCHEMBL4606656 0.81 F10 (0.44) F10F2KLK1
SCHEMBL6254933 0.81 F10 (0.47) F10F2KLK1
SCHEMBL4883533 0.78 F10 (0.76) F10F2KLK1
SCHEMBL4606587 0.77 F10 (0.42) F10F2KLK1
SCHEMBL4606659 0.75 F10 (0.42) F10F2KLK1
SCHEMBL4606185 0.73 F10 (0.43) F10F2KLK1
SCHEMBL1382385 0.72 F10 (0.76) F10F2KLK1
SCHEMBL4605761 0.71 F10 (0.41) F10F2KLK1
SCHEMBL4871621 0.71 F10 (0.74) F10F2KLK1

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-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed