SCHEMBL7466517

SCHEMBL7466517

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1C(F)(F)F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
ITGA2B P08514 2/20 0.46
SFRP1 Q8N474 15/20 0.38
RIPK1 Q13546 1/20 0.36
WNT3 P56703 4/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
AOC2 O75106 1/20 0.34
MAOB P27338 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
SCHEMBL7053630 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7465113 0.89 ITGB3 (0.45) ITGB3ITGAVITGA2BDRD2
SCHEMBL7470398 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7048411 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7469429 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BSFRP1
SCHEMBL7474930 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BSFRP1
SCHEMBL7462239 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL7468383 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7462037 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL382702 0.82 ITGB3 (0.46) 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 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