SCHEMBL383510

SCHEMBL383510

O=C(O)[C@H](CN(CC1CC1)C(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.53
ITGA2B P08514 13/20 0.53
ITGAV P06756 12/20 0.53
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
MMP3 P08254 1/20 0.40
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37

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
SCHEMBL382418 0.89 ITGB3 (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL7653549 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVMMP3HTR1A
SCHEMBL383368 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAVMMP3ITGB1
SCHEMBL27475491 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383511 0.82 ITGB3 (0.46) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382134 0.82 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7650144 0.81 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP3ITGB1
SCHEMBL7651464 0.81 HTR1A (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382419 0.80 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382123 0.79 ITGB3 (0.68) ITGB3ITGA2BITGAV

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
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-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