SCHEMBL7373207

SCHEMBL7373207

O=C(O)C[C@@H](NC(=O)CN1CC[C@H](NCc2ccc3c(n2)NCCC3)C1=O)c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.77
ITGAV P06756 20/20 0.77
ITGA2B P08514 2/20 0.70

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
SCHEMBL7373202 1.00 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7373199 1.00 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7405861 1.00 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7405865 1.00 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7375994 0.87 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7920986 0.87 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7375986 0.87 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7448376 0.87 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL13936149 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7924358 0.87 ITGB3 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
WO-1998046220-A1 COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS MERCK & CO., INC. (US) 1998-10-22 WO disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed