SCHEMBL7469578

SCHEMBL7469578

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)c(Cl)c1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGAV P06756 6/20 0.44
ITGA2B P08514 6/20 0.44
PARP1 P09874 2/20 0.38
CCR2 P41597 1/20 0.37
P2RY12 Q9H244 3/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7464674 0.92 ITGB3 (0.45) ITGB3ITGAVITGA2BKDM4EALDH1A1
SCHEMBL7457808 0.92 ITGB3 (0.45) ITGB3ITGAVITGA2BKDM4EALDH1A1
SCHEMBL381838 0.91 ITGB3 (0.51) ITGB3ITGAVITGA2BPARP1P2RY12
SCHEMBL7470398 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BCCR2KDM4E
SCHEMBL7048411 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BCCR2KDM4E
SCHEMBL7474930 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BCCR2KDM4E
SCHEMBL7469429 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BCCR2KDM4E
SCHEMBL7465113 0.87 ITGB3 (0.45) ITGB3ITGAVITGA2BCCR2HTT
SCHEMBL7462239 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BCCR2KDM4E
SCHEMBL7468383 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2BCCR2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed