SCHEMBL381746

SCHEMBL381746

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)ONS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
ITGA2B P08514 8/20 0.41
SFRP1 Q8N474 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL382204 0.94 ITGB3 (0.39) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382643 0.90 ITGB3 (0.52) ITGB3ITGAVITGA2BSFRP1ALDH1A1
SCHEMBL7464227 0.88 ITGB3 (0.37) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382513 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1KDM4E
SCHEMBL382332 0.85 ITGB3 (0.37) ITGB3ITGAVITGA2BSFRP1LMNA
SCHEMBL7468383 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BALDH1A1KDM4E
SCHEMBL383238 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1KDM4E
SCHEMBL383199 0.83 DRD2 (0.36) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL7469287 0.83 ITGB3 (0.45) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL381745 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2B

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