SCHEMBL6254933

SCHEMBL6254933

CC(C)N(C(=O)c1cc(C(=O)O)n(Cc2cc(-c3ccc(Cl)s3)on2)n1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.47
F2 P00734 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL4606656 0.82 F10 (0.44) F10F2KLK1
SCHEMBL6875834 0.81 F10 (0.47) F10F2KLK1
SCHEMBL1456862 0.80 F10 (0.49) F10F2
SCHEMBL6887051 0.78 F10 (0.59) F10F2KLK1
SCHEMBL4606659 0.77 F10 (0.42) F10F2KLK1
SCHEMBL4606587 0.77 F10 (0.42) F10F2KLK1
SCHEMBL1455995 0.77 F10 (0.49) F10F2KLK1
SCHEMBL1456402 0.76 F10 (0.52) F10F2KLK1
SCHEMBL2782545 0.76 F10 (0.48) F10F2KLK1
SCHEMBL2780405 0.76 F10 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed