SCHEMBL12137809

SCHEMBL12137809

O/N=C1/CCC2CCCc3cccc1c32

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR3B O95264 1/20 0.40
ADRA2A P08913 1/20 0.40
KCNE1 P15382 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL7878541 1.00 HPGD (0.51) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL7878542 1.00 HPGD (0.51) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL3592299 0.88 HPGD (0.47) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL3592301 0.88 HPGD (0.47) HPGDL3MBTL1LMNAHSD17B10HTR3B
SCHEMBL12137822 0.79 HTR3B (0.39) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL12137802 0.79 HTR3B (0.39) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL830902 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL7013965 0.76 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL30739530 0.75 TSHR (0.40)
SCHEMBL718791 0.75 TSHR (0.40)

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
US-8067603-B2 Opiod receptor-like receptors (ORL1); for treatment of chronic pain conditions, central nervous system disorders such as anxiety and stress disorders, depression, epilepsy, stroke, Alzheimer's disease, eating disorders, and drug abuse SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-29 US disclosed
US-8067603-B2 Opiod receptor-like receptors (ORL1); for treatment of chronic pain conditions, central nervous system disorders such as anxiety and stress disorders, depression, epilepsy, stroke, Alzheimer's disease, eating disorders, and drug abuse SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-29 US disclosed