SCHEMBL6949485

SCHEMBL6949485

CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)CC(CC(=O)O)C(=O)NC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 1.00
ITGA2B P08514 16/20 1.00
ITGAV P06756 3/20 0.39
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL6952273 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAVSMYD3
SCHEMBL6948573 0.98 ITGB3 (0.96) ITGB3ITGA2BITGAVSMYD3
SCHEMBL6948579 0.84 ITGB3 (0.72) ITGB3ITGA2BSMYD3
SCHEMBL6944818 0.84 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6945074 0.84 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6675818 0.81 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6675809 0.81 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6951354 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6949669 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7438405 0.80 ITGB3 (0.67) 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-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