SCHEMBL382545

SCHEMBL382545

O=C(CCNC(=O)c1ccc(N2CC[C@@H](Nc3ncccn3)C2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ITGAV P06756 2/20 0.46
CASR P41180 13/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MCHR1 Q99705 1/20 0.38
HPGDS O60760 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL382702 1.00 ITGB3 (0.46) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7470398 0.95 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7048411 0.95 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL382763 0.95 ITGB3 (0.48) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7462239 0.94 ITGB3 (0.49) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7465258 0.88 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7466616 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAVCASRKDM4E
SCHEMBL7469429 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7474930 0.87 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7457979 0.86 SFRP1 (0.42) ITGB3ITGA2BITGAVKDM4EHTT

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