SCHEMBL6675809

SCHEMBL6675809

CC(C)N1Cc2ccc(C(=O)N(C)CCC3CCNCC3)cc2C[C@H](CC(=O)O)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 19/20 1.00
ITGAV P06756 1/20 0.41
ITGA2 P17301 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
SCHEMBL6675818 1.00 ITGB3 (1.00) ITGB3ITGA2BITGAVITGA2
SCHEMBL6951352 0.90 ITGB3 (0.82) ITGB3ITGA2BITGA2
SCHEMBL6944818 0.89 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6945074 0.89 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6675093 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6675942 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6682285 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6673333 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6682296 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6673330 0.85 ITGB3 (1.00) 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
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed