SCHEMBL6952282

SCHEMBL6952282

O=C(O)CC1Cc2cc(C(=O)NCCCC3CCNCC3)ccc2CNC1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.66
ITGA2B P08514 18/20 0.66
ITGA2 P17301 1/20 0.49
NAMPT P43490 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
SCHEMBL6952485 0.81 ITGB3 (0.70) ITGB3ITGA2BITGA2
SCHEMBL8028957 0.81 ITGB3 (0.70) ITGB3ITGA2BITGA2NAMPT
SCHEMBL7438417 0.80 ITGB3 (0.47) ITGB3ITGA2BNAMPT
SCHEMBL8034545 0.80 ITGB3 (0.69) ITGB3ITGA2BITGA2NAMPT
SCHEMBL6952273 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6949485 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6673123 0.80 ITGB3 (0.70) ITGB3ITGA2BITGA2NAMPT
SCHEMBL6673338 0.80 ITGB3 (0.71) ITGB3ITGA2BITGA2
SCHEMBL6678676 0.80 ITGB3 (0.72) ITGB3ITGA2BITGA2
SCHEMBL6951358 0.79 ITGB3 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
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