SCHEMBL7367456

SCHEMBL7367456

CN1Cc2cc(C(=O)N(CCC3CCNCC3)CCC3CCNCC3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGA2B P08514 13/20 0.65
ITGAV P06756 14/20 0.58

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
SCHEMBL6688830 0.89 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7501339 0.86 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL6673710 0.86 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL6652132 0.86 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL8019092 0.86 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7510058 0.82 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7502122 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7368618 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7405200 0.80 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7502474 0.79 ITGB3 (0.69) 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 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