SCHEMBL6433648

SCHEMBL6433648

CC(=O)OC(C)=O.C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.80
F2 P00734 5/20 0.80

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
Acetic Acid SCHEMBL6433644 0.94 F10 (0.88) F10F2
SCHEMBL6432591 0.92 F10 (0.80) F10F2
Acetic Acid SCHEMBL6433639 0.92 F10 (0.85) F10F2
SCHEMBL6438062 0.92 F10 (0.80) F10F2
SCHEMBL12589593 0.85 F10 (1.00) F10F2
Acetic Acid SCHEMBL6432588 0.85 F10 (0.88) F10F2
Acetic Acid SCHEMBL6438058 0.85 F10 (0.88) F10F2
SCHEMBL6433317 0.84 F10 (0.82) F10F2
SCHEMBL6440162 0.84 F10 (0.81) F10F2
Acetic Acid SCHEMBL6432584 0.84 F10 (0.85) F10F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed