SCHEMBL381827

SCHEMBL381827

COc1cc(C(=O)NCCC(=O)ONC(C)(C)C)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
DRD2 P14416 10/20 0.44
DRD3 P35462 7/20 0.44
HTR1A P08908 8/20 0.40
ADRA2A P08913 5/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
ADRA1A P35348 3/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL382100 0.90 ITGB3 (0.46) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL383372 0.89 ITGB3 (0.42) USP30ITGB3ITGAVITGA2B
SCHEMBL383051 0.87 ITGB3 (0.54) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL381765 0.86 ALDH1A1 (0.46) DRD2DRD3
SCHEMBL382568 0.85 ITGB3 (0.43) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL383235 0.85 ITGB3 (0.48) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL382513 0.85 ITGB3 (0.49) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL382188 0.85 ITGB3 (0.49) USP30ITGB3ITGAVITGA2BDRD2
SCHEMBL6496334 0.84 CNR1 (0.43) DRD2DRD3DRD4
SCHEMBL382297 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed