SCHEMBL7652791

SCHEMBL7652791

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C(=O)O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.54
ITGB3 P05106 16/20 0.52
ITGA2B P08514 16/20 0.52

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
SCHEMBL7653508 0.90 ITGAV (0.43) ITGAVITGB3ITGA2B
SCHEMBL7655212 0.88 ITGB3 (0.65) ITGAVITGB3ITGA2B
SCHEMBL7658786 0.85 ITGAV (0.60) ITGAVITGB3ITGA2B
SCHEMBL7652796 0.84 PKM (0.38) ITGAVITGB3ITGA2B
SCHEMBL7653324 0.82 ITGB3 (0.46) ITGAVITGB3ITGA2B
SCHEMBL7653514 0.79 LMNA (0.35) ITGAVITGB3ITGA2B
SCHEMBL7655239 0.79 KDM4E (0.44) ITGAVITGB3ITGA2B
SCHEMBL7651403 0.79 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL7651419 0.79 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL7658557 0.78 ITGB3 (0.65) ITGAVITGB3ITGA2B

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
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed