SCHEMBL7748714

SCHEMBL7748714

Cc1cccc(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.63
ITGA2B P08514 16/20 0.63
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ITGAV P06756 3/20 0.45

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
SCHEMBL7752629 0.90 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7752361 0.90 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL27461966 0.90 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7752365 0.89 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7748743 0.85 ITGAV (0.56) ITGB3ITGA2BITGAV
SCHEMBL7748737 0.83 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7754726 0.83 ITGAV (0.67) ITGB3ITGA2BOPRK1ITGAV
SCHEMBL7752313 0.83 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7702509 0.83 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7702515 0.83 ITGB3 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed