SCHEMBL7465113

SCHEMBL7465113

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1Cl)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
ITGA2B P08514 2/20 0.45
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
SCN8A Q9UQD0 1/20 0.35
SLC6A9 P48067 1/20 0.35
BTK Q06187 1/20 0.35
USP2 O75604 1/20 0.34
CCR2 P41597 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 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) ITGB3ITGAVITGA2BSMN1; SMN2BTK
SCHEMBL7466517 0.89 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2
SCHEMBL7470398 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2HTT
SCHEMBL7048411 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2HTT
SCHEMBL7469429 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BHTTRAB9A
SCHEMBL7474930 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BHTTRAB9A
SCHEMBL7469578 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNASMN1; SMN2
SCHEMBL7462239 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BLMNASMN1; SMN2
SCHEMBL7468383 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BHTTRAB9A
SCHEMBL382545 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BHTT

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