SCHEMBL5604368

SCHEMBL5604368

NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)c(Cl)s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.70
KLKB1 P03952 7/20 0.69
PRSS1 P07477 3/20 0.69
PRSS2 P07478 3/20 0.69
PRSS3 P35030 3/20 0.69
F7 P08709 3/20 0.69
F10 P00742 2/20 0.69
F12 P00748 2/20 0.69
PLG P00747 1/20 0.69
KLK1 P06870 1/20 0.69

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
SCHEMBL13650879 1.00 F11 (0.70) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13524462 0.85 F11 (0.79) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL8239096 0.85 F11 (0.76) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13657381 0.84 F11 (0.51) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL4138626 0.84 F11 (0.61) F11KLKB1
SCHEMBL4138623 0.84 F11 (0.61) F11KLKB1
SCHEMBL13524458 0.83 F11 (0.80) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13524465 0.83 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13524467 0.83 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL13524408 0.83 F11 (1.00) 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
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed