SCHEMBL382633

SCHEMBL382633

Nc1ccc(S(=O)(=O)NC(CC(=O)O)NC(=O)c2ccc(N3CCC(NC4=NCCCN4)CC3)c(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.68
ITGAV P06756 16/20 0.68
ITGA2B P08514 13/20 0.68
ITGB1 P05556 1/20 0.37
ITGB5 P18084 1/20 0.37
USP30 Q70CQ3 1/20 0.33
SLC6A9 P48067 1/20 0.33
PARP1 P09874 1/20 0.32
TNK2 Q07912 1/20 0.32
TNK1 Q13470 1/20 0.32

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
SCHEMBL382269 0.95 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL419977 0.94 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382754 0.94 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381993 0.92 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382271 0.92 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382861 0.90 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6499246 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382444 0.87 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381996 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382329 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5

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