SCHEMBL382764

SCHEMBL382764

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
ITGAV P06756 7/20 0.51
CASR P41180 5/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SFRP1 Q8N474 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
SCHEMBL27551456 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRDRD2
SCHEMBL6499964 0.91 KAT6A (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL7464453 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVCASRDRD2
SCHEMBL6499908 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382782 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAVCASR
SCHEMBL381839 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6496673 0.88 KAT6A (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6499693 0.87 DRD2 (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6505536 0.87 ITGB3 (0.48) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL383239 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVMEN1KMT2A

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 7 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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