SCHEMBL7480834

SCHEMBL7480834

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)O)C(=O)C3)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.76
ITGA2B P08514 18/20 0.76
ACHE P22303 1/20 0.53
ITGA2 P17301 1/20 0.50

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
SCHEMBL7444146 0.86 ITGB3 (1.00) ITGB3ITGA2BITGA2
SCHEMBL7402324 0.84 ITGB3 (1.00) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL7309194 0.81 ITGB3 (0.59) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL7320907 0.81 ITGB3 (0.90) ITGB3ITGA2B
SCHEMBL7345980 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7467837 0.80 ITGB3 (0.85) ITGB3ITGA2BITGA2
SCHEMBL7305449 0.80 ITGB3 (0.92) ITGB3ITGA2B
SCHEMBL7396971 0.76 ITGB3 (1.00) ITGB3ITGA2BITGA2
SCHEMBL7759820 0.76 ITGB3 (0.54) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7035525 0.75 ITGB3 (0.89) ITGB3ITGA2BITGA2

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-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 EP claimed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 EP claimed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 WO claimed
US-5602145-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
EP-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 EP disclosed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 EP disclosed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 WO disclosed