SCHEMBL7438524

SCHEMBL7438524

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGA2B P08514 15/20 0.56
ITGAV P06756 2/20 0.51
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL7438528 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7399596 0.91 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7397591 0.91 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7399604 0.88 ITGB3 (0.52) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7395726 0.86 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7595687 0.86 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7432285 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7432277 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAVHDAC6HDAC1
SCHEMBL7595704 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAVSMN1; SMN2HDAC6
SCHEMBL7402539 0.82 ITGB3 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP claimed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 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