SCHEMBL390070

SCHEMBL390070

NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc(Cl)c(-c3ccc(C(N)=O)cc3)[nH]2)CC1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.79
KLKB1 P03952 18/20 0.79
F10 P00742 2/20 0.69
PLG P00747 1/20 0.58
F12 P00748 1/20 0.58
KLK1 P06870 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
F7 P08709 1/20 0.58
PRSS3 P35030 1/20 0.58

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
SCHEMBL390071 1.00 F11 (0.79) F11KLKB1F10PLGF12
SCHEMBL392450 0.90 F11 (0.81) F11KLKB1F10PLGF12
SCHEMBL392451 0.90 F11 (0.81) F11KLKB1F10PLGF12
SCHEMBL394819 0.88 F11 (0.74) F11KLKB1F10
SCHEMBL394818 0.88 F11 (0.74) F11KLKB1F10
SCHEMBL392751 0.85 F11 (0.81) F11KLKB1F10PLGF12
SCHEMBL392750 0.85 F11 (0.81) F11KLKB1F10PLGF12
SCHEMBL393831 0.85 F11 (0.92) F11KLKB1F10PLGF12
SCHEMBL390271 0.83 F11 (0.71) F11KLKB1F10
SCHEMBL390272 0.83 F11 (0.71) F11KLKB1F10

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
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US claimed