SCHEMBL382763

SCHEMBL382763

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
ITGAV P06756 4/20 0.48
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HPGDS O60760 1/20 0.41
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
SFRP1 Q8N474 1/20 0.40
CASR P41180 3/20 0.39
ADRB3 P13945 1/20 0.39
GFER P55789 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 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
SCHEMBL382545 0.95 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL382702 0.95 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7457979 0.91 SFRP1 (0.42) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7470398 0.90 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7048411 0.90 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7462239 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7470713 0.89 KAT6A (0.39) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7469399 0.88 SFRP1 (0.40) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7469099 0.88 KAT6A (0.41) ITGB3ITGA2BITGAVDRD3DRD2
SCHEMBL381838 0.88 ITGB3 (0.51) 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 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
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
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