SCHEMBL7398374

SCHEMBL7398374

CN1c2ccc(NC(=O)c3ccc(C(=NN)C(=O)OCc4ccccc4)cc3)cc2CN(CCc2ccccc2)C(=O)C1CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
ITGAV P06756 2/20 0.42
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
MAOA P21397 2/20 0.38
KDM1B Q8NB78 2/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PRKCA P17252 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 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
SCHEMBL7402544 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7402539 0.88 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7398371 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7398292 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7438524 0.80 ITGB3 (0.56) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7438528 0.80 ITGB3 (0.56) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7399604 0.80 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7398372 0.79 ITGB3 (0.40) ITGB3ITGA2BITGAVKDM1ARCOR1
SCHEMBL7397826 0.79 GLA (0.38) ITGB3ITGA2BITGAV
SCHEMBL7399596 0.79 ITGB3 (0.68) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed