SCHEMBL382408

SCHEMBL382408

O=C(N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGA2B P08514 7/20 0.55
ITGAV P06756 17/20 0.50
ITGB1 P05556 2/20 0.47
ITGA5 P08648 2/20 0.47
ITGB5 P18084 2/20 0.47

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
SCHEMBL7467070 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL384051 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382567 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7651260 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382505 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB5
SCHEMBL7052904 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382410 0.84 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382281 0.84 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL382611 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL27538781 0.83 ITGB3 (0.42) ITGB3ITGA2BITGAVITGB1ITGA5

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 6 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
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US 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
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed