SCHEMBL382574

SCHEMBL382574

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCC(Nc4nc5ccccc5n4C(=O)OC(C)(C)C)CC3)cc2)C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.47
ITGB3 P05106 15/20 0.47
ITGA2B P08514 14/20 0.47
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL383504 0.95 ITGAV (0.42) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL382553 0.88 ITGB3 (0.53) ITGAVITGB3ITGA2B
SCHEMBL382575 0.87 SMN1; SMN2 (0.36) ITGAVITGB3ITGA2BMEN1CYP2C19
SCHEMBL7860298 0.86 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL7860282 0.86 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL7860398 0.86 SMN1; SMN2 (0.36) ITGAVITGB3ITGA2BMEN1CYP2C19
SCHEMBL383380 0.86 ITGB3 (0.45) ITGAVITGB3ITGA2BMEN1CYP2C19
SCHEMBL382606 0.83 SMN1; SMN2 (0.42) ITGAVITGB3ITGA2BMEN1CYP2C19
SCHEMBL382797 0.83 ITGB3 (0.46) ITGAVITGB3ITGA2BMEN1CYP2C19
SCHEMBL381926 0.82 ITGB3 (0.46) ITGAVITGB3ITGA2BITGB1ITGA5

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed