SCHEMBL7405200

SCHEMBL7405200

CN1Cc2cc(C(=O)N(CCc3ccncc3)CCc3ccncc3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGAV P06756 20/20 0.68
ITGA2B P08514 12/20 0.62

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
SCHEMBL7509393 0.83 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7375022 0.82 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7077079 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7367456 0.80 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7502474 0.79 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL6677340 0.79 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL5972553 0.79 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677335 0.79 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7796007 0.77 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL6676966 0.77 ITGB3 (1.00) 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 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