SCHEMBL382409

SCHEMBL382409

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)ONC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
SYK P43405 1/20 0.40
HPGDS O60760 2/20 0.40
GAA P10253 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.38
CHRM4 P08173 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ME3 Q16798 1/20 0.38
MAPT P10636 1/20 0.38
PRKAA2 P54646 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
SCHEMBL7467073 0.91 VCP (0.41) KDM4EHTTGAADRD2DRD3
SCHEMBL7052907 0.91 ITGB3 (0.40) KDM4EHTTGAAGRIN2BMEN1
SCHEMBL384052 0.88 ITGB3 (0.41) GAAGRIN2BKMT2ACHRM4ITGB3
SCHEMBL7655291 0.86 KDM4E (0.53) KDM4EHTTGAADRD3MAPT
SCHEMBL382568 0.86 ITGB3 (0.43) DRD2DRD3ITGB3ITGAVMAPT
SCHEMBL382612 0.83 GAA (0.37) SYKGAAGRIN2BMEN1KMT2A
SCHEMBL381718 0.83 ALDH1A1 (0.38) KDM4EHTTHPGDSDRD2DRD3
SCHEMBL381765 0.83 ALDH1A1 (0.46) KDM4EHTTHPGDSDRD2DRD3
SCHEMBL382963 0.83 SMYD3 (0.43) KDM4EHTTHPGDSDRD2DRD3
SCHEMBL7539445 0.82 CNR1 (0.44) KDM4EHTTHPGDSDRD2DRD3

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