SCHEMBL15926952

SCHEMBL15926952

CC(C)N1CCC(N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
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
SCHEMBL1675255 0.88 F10 (0.83) F10F2KLK1
SCHEMBL8359004 0.84 F10 (0.75) F10F2KLK1
SCHEMBL15911452 0.82 F10 (0.69) F10F2KLK1
SCHEMBL3966835 0.81 CCR2 (0.55) F10F2KLK1
SCHEMBL1674972 0.80 F10 (0.72) F10F2KLK1
SCHEMBL8358667 0.79 F10 (0.63) F10F2KLK1
SCHEMBL1675102 0.79 F10 (0.80) F10F2KLK1
SCHEMBL1675027 0.78 F10 (0.68) F10F2KLK1
SCHEMBL1675120 0.78 F10 (1.00) F10F2KLK1
SCHEMBL1674956 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
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed