SCHEMBL382677

SCHEMBL382677

NOC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGA2B P08514 3/20 0.43
USP30 Q70CQ3 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RPS6KB1 P23443 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
VDR P11473 1/20 0.37
NPY2R P49146 1/20 0.37
MTTP P55157 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL7468715 0.90 RPS6KB1 (0.37) ITGB3ITGAVITGA2BUSP30HPGD
SCHEMBL383372 0.89 ITGB3 (0.42) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL382100 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BUSP30DRD2
SCHEMBL7544324 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL382847 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BUSP30GAA
SCHEMBL382963 0.85 SMYD3 (0.43) KDM4EHTTDRD2DRD3
SCHEMBL7655246 0.85 KDM4E (0.50) SMN1; SMN2KDM4EHTTVDRDRD2
SCHEMBL384052 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BGAAHPGD
SCHEMBL381825 0.85 EPHX2 (0.36) EPHX2KDM4EHTTDRD2DRD3
SCHEMBL6797582 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BUSP30GAA

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