SCHEMBL7368618

SCHEMBL7368618

O=C(O)CC1Nc2cc(C(=O)N(CCC3CCNCC3)CCC3CCNCC3)ccc2CN(CCC2CCCCC2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGA2B P08514 20/20 0.68

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
SCHEMBL6951570 0.92 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL6952903 0.92 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL6947717 0.84 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL6947720 0.84 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL6952916 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL6673463 0.81 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL6675805 0.81 ITGB3 (0.79) ITGB3ITGA2B
SCHEMBL7367456 0.81 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL6676427 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6676433 0.81 ITGB3 (1.00) ITGB3ITGA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008214-A Bicyclic compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US claimed
EP-0777657-A4 1997-07-16 EP claimed
EP-0777657-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-11 EP claimed
WO-1996006087-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-02-29 WO claimed
US-6008214-A Bicyclic compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0777657-A4 1997-07-16 EP disclosed
EP-0777657-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-11 EP disclosed
WO-1996006087-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-02-29 WO disclosed