SCHEMBL8254471

SCHEMBL8254471

CCOc1cc(O)cc(C(Nc2ccc3c(N)nccc3c2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.52
F3 P13726 20/20 0.52
F10 P00742 13/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
F2 P00734 11/20 0.51
F11 P03951 4/20 0.51

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
SCHEMBL14009540 0.94 F7 (0.58) F7F3F10PRSS1PRSS2
SCHEMBL4999984 0.80 F7 (0.60) F7F3F10PRSS1PRSS2
SCHEMBL6089721 0.79 F7 (0.78) F7F3F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL2848764 0.78 F7 (0.77) F7F3F10PRSS1PRSS2
SCHEMBL4657710 0.77 F7 (0.48) F7F3F10PRSS1PRSS2
SCHEMBL2853487 0.76 F7 (0.56) F7F3F10PRSS1PRSS2
SCHEMBL8234975 0.76 F7 (0.57) F7F3F10PRSS1PRSS2
SCHEMBL4657711 0.75 F7 (0.46) F7F3F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL5882854 0.75 F10 (0.85) F7F3F10PRSS1PRSS2
SCHEMBL8253736 0.75 NR1H4 (0.37) F7F3F10PRSS1PRSS2

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-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed