SCHEMBL18801153

SCHEMBL18801153

CCCC1CCCN1SCc1ccc(Br)c(OC)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MEN1 O00255 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA2C P18825 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL18801453 0.82 METAP2 (0.35) DRD2DRD4DRD3
SCHEMBL18801103 0.80 DRD2 (0.40) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL18801106 0.79 DRD2 (0.39) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL18801370 0.76 DRD2 (0.37) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL18801351 0.76 DRD2 (0.38) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL1648499 0.73 ALDH1A1 (0.44) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL18801159 0.72 MEN1 (0.34) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL1645658 0.72 DRD2 (0.37) DRD2DRD4DRD3MEN1HTR1A
SCHEMBL18801290 0.72 METAP2 (0.39) DRD2
SCHEMBL6844874 0.71 KMT2A (0.41) DRD2DRD4DRD3MEN1HTR1A

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed