SCHEMBL383199

SCHEMBL383199

CC(C)(C)NOC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
EPHX2 P34913 1/20 0.35
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL381825 0.89 EPHX2 (0.36) DRD2DRD3EPHX2ADRA2AMCHR1
SCHEMBL382204 0.86 ITGB3 (0.39) DRD2DRD3EPHX2ADRA2AMCHR1
SCHEMBL383372 0.85 ITGB3 (0.42) NPY2R
SCHEMBL382792 0.85 ITGB3 (0.35) DRD2DRD3ADRA2AMCHR1ALDH1A1
SCHEMBL382612 0.84 GAA (0.37) MEN1KMT2AALDH1A1AOC3
SCHEMBL382907 0.84 GRIN2B (0.35) ADRA2AMCHR1MEN1KMT2AALDH1A1
SCHEMBL381746 0.83 ITGB3 (0.41) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL382332 0.82 ITGB3 (0.37) ADRA2AMCHR1
SCHEMBL381765 0.82 ALDH1A1 (0.46) DRD2DRD3ALDH1A1KDM4EHTT
SCHEMBL381827 0.81 USP30 (0.45) DRD2DRD3ADRA2AMEN1KMT2A

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