SCHEMBL3372855

SCHEMBL3372855

O=C(Cn1c(C(=O)Nc2ccc(N3CCOCC3=O)cc2)nc2c(OC(=O)O)cccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.50
PTGS2 P35354 2/20 0.39
MTOR P42345 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL3374375 0.93 F10 (0.52) F10PTGS2MTOR
SCHEMBL1380369 0.91 F10 (0.52) F10MTOR
SCHEMBL3371107 0.90 F10 (0.52) F10PTGS2KDR
SCHEMBL3371019 0.88 F10 (0.55) F10MTOR
SCHEMBL1378964 0.86 F10 (0.66) F10PTGS2KDR
SCHEMBL3370292 0.82 F10 (0.49) F10PTGS2MTOR
SCHEMBL3372955 0.78 F10 (0.50) F10PTGS2
SCHEMBL1384352 0.75 F10 (0.68) F10KDR
SCHEMBL3371323 0.75 F10 (0.50) F10
SCHEMBL1381365 0.74 F10 (0.66) F10KDR

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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed