SCHEMBL382204

SCHEMBL382204

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.39
ITGAV P06756 8/20 0.39
ITGA2B P08514 8/20 0.39
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
ENPP1 P22413 1/20 0.33
EPHX2 P34913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL381746 0.94 ITGB3 (0.41) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7464227 0.94 ITGB3 (0.37) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7468383 0.91 ITGB3 (0.41) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL383238 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL383199 0.86 DRD2 (0.36) KDM4EHTTADRA2AMCHR1EPHX2
SCHEMBL7469287 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7469099 0.85 KAT6A (0.41) ITGB3ITGAVITGA2BEPHX2DRD2
SCHEMBL381838 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL381825 0.85 EPHX2 (0.36) KDM4EHTTADRA2AMCHR1EPHX2
SCHEMBL382792 0.84 ITGB3 (0.35) ITGB3ITGAVITGA2BKDM4EADRA2A

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