SCHEMBL458925

SCHEMBL458925

CC(C)CC(=O)C(OS(C)(=O)=O)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
NFKB1 P19838 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL470596 0.73 ALDH1A1 (0.46) CPN1CPB2ALDH1A1SLC6A2SLC6A4
SCHEMBL8552247 0.70 OPRD1 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL27512854 0.70 CYP3A4 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL10953420 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2687432 0.66 MMP2 (0.35) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL8781625 0.66 ALDH1A1 (0.33) ALDH1A1SLC6A4
SCHEMBL8647710 0.66 CPN1 (0.30) CPN1CPB2
SCHEMBL2686498 0.65 MMP2 (0.38) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL4665794 0.65 ALDH1A1 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL13186646 0.63 KDM4E (0.36) CPN1CPB2ALDH1A1SLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed