SCHEMBL11539838

SCHEMBL11539838

c1ccc2c(OC3CCCC[N]3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1B P28222 2/20 0.36
MCHR1 Q99705 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL1827264 0.90 MEN1 (0.46) MEN1KMT2ARAB9AL3MBTL1NISCH
SCHEMBL2092663 0.78 SLC6A2 (0.39) RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7059946 0.75 MCHR1 (0.54) MEN1KMT2ARAB9AL3MBTL1HTR1B
SCHEMBL16789532 0.75 MCHR1 (0.54) MEN1KMT2ARAB9AL3MBTL1HTR1B
SCHEMBL3554168 0.74 SCD (0.41) SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL1828238 0.73 HRH1 (0.40) RAB9AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3158944 0.72 SLC6A2 (0.43) MEN1KMT2ARAB9ANISCHALDH1A1
SCHEMBL3120094 0.72 MEN1 (0.45) MEN1KMT2ARAB9AL3MBTL1NISCH
SCHEMBL3174760 0.72 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL16902862 0.72 MEN1 (0.51) MEN1KMT2ARAB9AL3MBTL1ALDH1A1

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
US-4170653-A Antidepressant naphthyloxy piperidino and pyrrolidino propanol ethers Ayerst McKenna and Harrison Limited (CA) 1979-10-09 US disclosed