SCHEMBL8401265

SCHEMBL8401265

N=C(N)c1ccc(C2(CC(=O)O)C(=O)N(CCc3ccccc3)Cc3ccccc3N2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.44
ITGA2B P08514 15/20 0.44
ITGAV P06756 2/20 0.43
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
F2 P00734 2/20 0.35
BDKRB2 P30411 1/20 0.34

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
SCHEMBL8897377 0.91 ITGB3 (0.42) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8897079 0.87 PARP1 (0.39) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8401220 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8518880 0.81 NAMPT (0.45) PARP1PARP2
SCHEMBL8398946 0.73 ITGB3 (0.44) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8401242 0.70 ITGB3 (0.51) ITGB3ITGA2BITGAVF2
SCHEMBL8398823 0.69 ITGB3 (0.39) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8398958 0.69 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL8398839 0.67 PARP1 (0.41) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8401294 0.67 ITGB3 (0.46) ITGB3ITGA2BITGAVPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US claimed
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