SCHEMBL8401186

SCHEMBL8401186

N=C(N)c1ccc(OC(=O)CC2C(=O)N(CCc3ccccc3)Cc3ccccc3N2NC=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGA2B P08514 16/20 0.45
ITGAV P06756 2/20 0.45
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35

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
SCHEMBL8401294 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8896265 0.83 ITGB3 (0.45) ITGB3ITGA2BITGAVF2
SCHEMBL8897233 0.80 ITGB3 (0.42) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL8398958 0.80 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL8899523 0.79 OXTR (0.37) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL8898789 0.74 F2 (0.39) ITGB3ITGA2BITGAVF2
SCHEMBL8399643 0.74 ITGB3 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL8402485 0.73 F2 (0.37) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL8401242 0.73 ITGB3 (0.51) ITGB3ITGA2BITGAVF2
SCHEMBL8403456 0.71 ITGB3 (0.40) ITGB3ITGA2BITGAV

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed