SCHEMBL6676580

SCHEMBL6676580

CC(C)N1Cc2ccc(C(=O)NCc3ccc(C=NN)cc3)cc2CC(CC(=O)O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.48
ITGA2B P08514 13/20 0.48
ITGAV P06756 8/20 0.42
RORC P51449 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6676578 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL6676568 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL6677682 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAVALDH1A1
SCHEMBL6678690 0.80 ITGB3 (0.53) ITGB3ITGA2BITGAVNAMPT
SCHEMBL8028957 0.73 ITGB3 (0.70) ITGB3ITGA2BNAMPT
SCHEMBL6675234 0.71 ITGB3 (0.48) ITGB3ITGA2BITGAVRORC
SCHEMBL7435590 0.71 ITGB3 (0.59) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7435601 0.71 ITGB3 (0.59) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7444076 0.70 ITGB3 (0.48) ITGB3ITGA2BNAMPTALDH1A1
SCHEMBL7442215 0.70 ITGB3 (0.63) 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 6 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 claimed
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