SCHEMBL7404259

SCHEMBL7404259

CCOC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2c(c1)OCC2

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.83
ITGAV P06756 20/20 0.83
ITGA2B P08514 1/20 0.60

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
SCHEMBL7404369 1.00 ITGB3 (0.83) ITGB3ITGAVITGA2B
SCHEMBL7404257 1.00 ITGB3 (0.83) ITGB3ITGAVITGA2B
SCHEMBL7514286 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7514277 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL4378963 0.81 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7944308 0.81 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL3889424 0.81 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL3889422 0.81 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL7912505 0.77 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL6432159 0.77 ITGB3 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US claimed
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 WO disclosed