SCHEMBL7651433

SCHEMBL7651433

CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.48
ITGAV P06756 14/20 0.48
ITGA2B P08514 9/20 0.48
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7652719 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7651445 0.84 JAK2 (0.38) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7658383 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7658303 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7651194 0.79 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7655259 0.77 ITGB3 (0.59) ITGB3ITGAVITGA2BJAK2JAK1
SCHEMBL7658132 0.77 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7656164 0.76 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7656171 0.76 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7658501 0.75 ITGB3 (0.57) 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
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