SCHEMBL7444067

SCHEMBL7444067

N=C(N)c1ccc(CNC(=O)c2ccc3c(c2)CN(CCC(=O)O)C(=O)CC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.65
ITGA2B P08514 12/20 0.65
TPSAB1 Q15661 1/20 0.44
ITGA2 P17301 1/20 0.43
NAMPT P43490 2/20 0.43
KLKB1 P03952 4/20 0.42
F2 P00734 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
SCHEMBL7444076 0.85 ITGB3 (0.48) ITGB3ITGA2BITGA2NAMPT
SCHEMBL7444051 0.79 ITGB3 (1.00) ITGB3ITGA2BITGA2
SCHEMBL9335737 0.73 TPSAB1 (0.67) ITGB3ITGA2BTPSAB1KLKB1F2
SCHEMBL6677677 0.72 ITGB3 (0.70) ITGB3ITGA2BKLKB1F2
SCHEMBL6677664 0.72 ITGB3 (0.70) ITGB3ITGA2BKLKB1F2
SCHEMBL7396971 0.70 ITGB3 (1.00) ITGB3ITGA2BITGA2
SCHEMBL7442201 0.69 ITGB3 (0.81) ITGB3ITGA2B
SCHEMBL6953183 0.69 ITGB3 (0.81) ITGB3ITGA2B
SCHEMBL7438065 0.69 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7438102 0.69 ITGB3 (0.60) ITGB3ITGA2B

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
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