SCHEMBL7365877

SCHEMBL7365877

CC(C(=O)O)C1Nc2ccc(C(=O)N(CCc3ccccc3)Cc3nc4ccccc4[nH]3)cc2CNC1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.64
ITGAV P06756 19/20 0.64
ITGA2B P08514 1/20 0.48
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7077079 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7329111 0.77 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8739433 0.76 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7916989 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6951971 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7361487 0.73 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7509393 0.72 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL8465392 0.72 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL7366383 0.71 KDM4E (0.41) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL8468526 0.70 ITGB3 (0.77) ITGB3ITGAVITGA2B

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
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP claimed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed