SCHEMBL8358667

SCHEMBL8358667

CC(C)N1CCC(N(C)C(=O)c2cc3c(C(F)(F)F)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.63
F2 P00734 2/20 0.57
KLK1 P06870 1/20 0.57

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
SCHEMBL1675059 0.90 F10 (0.60) F10F2KLK1
SCHEMBL1675037 0.88 F10 (0.58) F10F2KLK1
SCHEMBL1675013 0.87 F10 (0.83) F10F2KLK1
SCHEMBL8359004 0.83 F10 (0.75) F10F2KLK1
SCHEMBL1675092 0.82 F10 (0.71) F10F2KLK1
SCHEMBL3966093 0.82 CCR2 (0.55) F10F2KLK1
SCHEMBL15911675 0.81 F10 (0.67) F10F2KLK1
SCHEMBL15926952 0.79 F10 (0.64) F10F2KLK1
SCHEMBL1674960 0.79 F10 (0.67) F10F2KLK1
SCHEMBL1675008 0.77 F10 (1.00) 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
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed