SCHEMBL8107023

SCHEMBL8107023

CC(=N)c1ccc(NC(=O)CC(=O)CC(C)c2ccc(OC3CCCNC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.46
RORC P51449 1/20 0.43
F2 P00734 4/20 0.38
F10 P00742 4/20 0.38
BCL9 O00512 3/20 0.37
CTNNB1 P35222 3/20 0.37

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
SCHEMBL860691 0.82 F2 (0.47) DDR1RORCF2F10
Trifluoroacetic Acid SCHEMBL841558 0.79 F7 (0.45) DDR1F2F10
SCHEMBL860387 0.72 F2 (0.53) DDR1F2F10
SCHEMBL3680501 0.71 DDR1 (0.44) DDR1F2F10
SCHEMBL860972 0.68 F2 (0.49) F2F10
SCHEMBL860322 0.67 F2 (0.56) F2F10
SCHEMBL16603459 0.67 RORC (0.52) DDR1RORCBCL9CTNNB1
SCHEMBL16605519 0.67 BCL9 (0.52) BCL9CTNNB1
SCHEMBL860343 0.66 F7 (0.48) F2F10
SCHEMBL860902 0.66 F2 (0.52) F2F10

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
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed