SCHEMBL2107869

SCHEMBL2107869

NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2ccnc(-c3ccnc(F)c3)c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.83
KLKB1 P03952 2/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55

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
SCHEMBL2106460 0.91 F11 (1.00) F11KLKB1
SCHEMBL2106321 0.90 F11 (0.84) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2105118 0.82 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2105120 0.82 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2328198 0.79 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2331259 0.79 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13524382 0.78 F11 (1.00) F11
SCHEMBL2331235 0.78 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2325559 0.77 F11 (0.93) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2330899 0.76 F11 (0.87) F11KLKB1PRSS1PRSS2PRSS3

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-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed