SCHEMBL381815

SCHEMBL381815

O=C(O)CC(NCc1ccc(N2CCC(Nc3ncccn3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ITGAV P06756 2/20 0.44
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASR P41180 2/20 0.37
PIK3CA P42336 2/20 0.37
AKT1 P31749 1/20 0.37
MTOR P42345 1/20 0.37
MOGAT2 Q3SYC2 2/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
RORC P51449 1/20 0.36
ME3 Q16798 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
SCHEMBL27458677 1.00 ITGB3 (0.44) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382764 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL27551456 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL7653020 0.85 ALDH1A1 (0.43) ITGB3ITGA2BALDH1A1TSHRMAPK1
SCHEMBL383119 0.84 ITGB3 (0.64) ITGB3ITGA2BITGAVRORC
SCHEMBL381814 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6496673 0.81 KAT6A (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6499964 0.80 KAT6A (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6499908 0.78 ITGB3 (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382621 0.78 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3

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 10 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
CN-1303377-A Amino piperidine derivatives as integrin alpha beta 3 antagonists MEIJI SEIKA KAISHA (JP) 2001-07-11 CN 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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
CN-1303377-A Amino piperidine derivatives as integrin alpha beta 3 antagonists MEIJI SEIKA KAISHA (JP) 2001-07-11 CN disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed