SCHEMBL7399604

SCHEMBL7399604

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.52
ITGA2B P08514 17/20 0.52
ITGAV P06756 2/20 0.48
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRKCA P17252 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7595704 0.95 ITGB3 (0.54) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7402544 0.91 ITGB3 (0.46) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7397921 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7438524 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7438528 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7397591 0.87 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7399596 0.87 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7401590 0.84 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7393661 0.84 ITGB3 (0.53) ITGB3ITGA2BITGAVHDAC1HDAC8
SCHEMBL7395660 0.83 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC1HDAC8

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 10 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 claimed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP claimed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO claimed
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