SCHEMBL7834829

SCHEMBL7834829

CC(C)(NC(=O)c1ccc(C(=N)N)cc1)C(C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.48
ITGA2B P08514 19/20 0.48
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL7837038 0.94 ITGB3 (0.53) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7835873 0.88 YAP1 (0.41) PRSS1
SCHEMBL7834876 0.88 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7833863 0.86 ITGB3 (0.51) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7824915 0.86 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7835813 0.85 ITGB3 (0.51) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7826447 0.83 ITGB3 (0.56) ITGB3ITGA2BTPSAB1
SCHEMBL7838327 0.83 ITGB3 (0.48) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7834526 0.83 ITGB3 (0.53) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7836339 0.82 YAP1 (0.44) ITGB3ITGA2BPRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed