SCHEMBL7600644

SCHEMBL7600644

NCc1ccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)CN(CCc2ccccc2)C3=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.83
ITGA2B P08514 12/20 0.83
ITGAV P06756 2/20 0.51
PLAU P00749 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7393761 1.00 ITGB3 (0.83) ITGB3ITGA2BITGAVPLAUMEN1
SCHEMBL7399925 0.94 ITGB3 (0.77) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7595085 0.94 ITGB3 (0.77) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7593946 0.91 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7593955 0.89 ITGB3 (0.79) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL7599947 0.86 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7595534 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAVKDM4EMAPT
SCHEMBL7595536 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAVKDM4EMAPT
SCHEMBL7599956 0.84 ITGB3 (0.79) ITGB3ITGA2BITGAVSMN1; SMN2ALDH1A1
SCHEMBL7395612 0.84 ITGB3 (0.70) ITGB3ITGA2BITGAVMEN1KMT2A

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
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed