SCHEMBL7464674

SCHEMBL7464674

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.45
ITGAV P06756 8/20 0.45
ITGA2B P08514 8/20 0.45
LMNA P02545 1/20 0.35
DGAT2 Q96PD7 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VDR P11473 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL7457808 1.00 ITGB3 (0.45) ITGB3ITGAVITGA2BLMNADGAT2
SCHEMBL7469578 0.92 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNADGAT2
SCHEMBL383238 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BLMNAKDM4E
SCHEMBL7468383 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BDGAT2KDM4E
SCHEMBL7470398 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2BDGAT2KDM4E
SCHEMBL7048411 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2BDGAT2KDM4E
SCHEMBL7469429 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7474930 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL382643 0.87 ITGB3 (0.52) ITGB3ITGAVITGA2BKDM4EALDH1A1
SCHEMBL7053630 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BKDM4EALDH1A1

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