SCHEMBL382333

SCHEMBL382333

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1F

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.78
ITGA2B P08514 19/20 0.78
ITGAV P06756 18/20 0.78
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44

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
SCHEMBL383385 0.94 ITGB3 (0.79) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6496727 0.94 ITGB3 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382591 0.94 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7465516 0.92 ITGB3 (0.79) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382753 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL30856557 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7465504 0.87 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6497468 0.86 ITGB3 (0.79) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6499233 0.86 ITGB3 (0.89) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382334 0.86 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB1ITGB5

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