SCHEMBL382937

SCHEMBL382937

O=C(O)CC(NC(=O)c1ccc(N2CCC(NC3=NCCN3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.66
ITGA2B P08514 16/20 0.66
ITGAV P06756 16/20 0.66
CASR P41180 2/20 0.38
ITGB1 P05556 2/20 0.36
ITGB5 P18084 2/20 0.36
ITGA5 P08648 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL383174 0.95 ITGB3 (0.73) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL382704 0.94 ITGB3 (0.70) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL382861 0.88 ITGB3 (0.68) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6498837 0.87 ITGB3 (0.62) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7461042 0.87 ITGB3 (0.74) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL382764 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL27551456 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL6496357 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL381996 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382329 0.84 ITGB3 (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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