SCHEMBL462069

SCHEMBL462069

NCC1CCC(C(=O)NC(Cc2cccc(C(=O)O)c2)c2nc(-c3ccc(C(N)=O)cc3)c[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.61
KLKB1 P03952 14/20 0.61
F10 P00742 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
SCHEMBL462070 1.00 F11 (0.61) F11KLKB1F10
SCHEMBL390271 0.93 F11 (0.71) F11KLKB1F10
SCHEMBL390272 0.93 F11 (0.71) F11KLKB1F10
SCHEMBL392607 0.91 F11 (0.69) F11KLKB1
SCHEMBL392608 0.91 F11 (0.69) F11KLKB1
SCHEMBL391789 0.91 F11 (0.69) F11KLKB1F10
SCHEMBL391790 0.91 F11 (0.69) F11KLKB1F10
SCHEMBL393065 0.90 F11 (0.73) F11KLKB1F10
SCHEMBL392354 0.88 F11 (0.56) F11KLKB1F10
SCHEMBL391752 0.85 F11 (0.68) F11KLKB1

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