SCHEMBL382963

SCHEMBL382963

NOC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
CASR P41180 4/20 0.42
HPGDS O60760 4/20 0.42
DRD2 P14416 6/20 0.41
DRD3 P35462 6/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL7539445 0.91 CNR1 (0.44) SMYD3KDM4EHTTCASRHPGDS
SCHEMBL7464413 0.89 CNR1 (0.45) KDM4EHTTDRD2DRD3CNR1
SCHEMBL7049509 0.89 ITGB3 (0.42) SMYD3KDM4EHTTCASRALDH1A1
SCHEMBL381765 0.88 ALDH1A1 (0.46) KDM4EHTTCASRHPGDSDRD2
SCHEMBL6800155 0.86 ALDH1A1 (0.44) KDM4EHTTCASRHPGDSDRD2
SCHEMBL382677 0.85 ITGB3 (0.43) KDM4EHTTDRD2DRD3
SCHEMBL382100 0.84 ITGB3 (0.46) DRD2DRD3
SCHEMBL382409 0.83 KDM4E (0.40) KDM4EHTTCASRHPGDSDRD2
SCHEMBL7657754 0.83 KDM4E (0.58) KDM4EHTTDRD2ALDH1A1GFER
SCHEMBL382763 0.83 ITGB3 (0.48) KDM4EHTTCASRHPGDSDRD2

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 8 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
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