SCHEMBL8401294

SCHEMBL8401294

N=C(N)c1ccc(OC(=O)CC2C(=O)N(CCc3ccccc3)Cc3ccccc3N2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.46
ITGA2B P08514 18/20 0.46
ITGAV P06756 2/20 0.45
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL8401186 0.87 ITGB3 (0.45) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8401242 0.79 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL8398958 0.76 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7338319 0.74 PARP1 (0.44) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL7398504 0.72 ITGB3 (0.46) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8898222 0.70 ITGB3 (0.44) ITGB3ITGA2BITGAVPARP1PARP2
SCHEMBL8896265 0.70 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7402539 0.69 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6949734 0.68 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6953303 0.68 ITGB3 (0.56) 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