SCHEMBL7466616

SCHEMBL7466616

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1)ONS(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
ITGA2B P08514 4/20 0.44
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 2/20 0.36
DGAT2 Q96PD7 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL7470398 0.92 ITGB3 (0.51) ITGB3ITGAVITGA2BTSHRHTT
SCHEMBL7048411 0.92 ITGB3 (0.51) ITGB3ITGAVITGA2BTSHRHTT
SCHEMBL7462239 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BLMNATSHR
SCHEMBL382545 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BHTTCASR
SCHEMBL382702 0.88 ITGB3 (0.46) ITGB3ITGAVITGA2BHTTCASR
SCHEMBL7465258 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BTSHRHTT
SCHEMBL7469429 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BHTTKDM4E
SCHEMBL7474930 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BHTTKDM4E
SCHEMBL7464586 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2BLMNATSHR
SCHEMBL7464276 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2BHTTCASR

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