SCHEMBL8890307

SCHEMBL8890307

O=CN1CCc2ccc3c(c21)CCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
MTNR1B P49286 8/20 0.32
MTNR1A P48039 7/20 0.32
ERN1 O75460 1/20 0.32
ABCB11 O95342 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
USP2 O75604 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25882779 0.72 HTR2C (0.68) HTR2AHTR2CHTR2BMTNR1BMTNR1A
Propane SCHEMBL6328140 0.72 HTR2C (0.60) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL906000 0.70 HTR2C (0.57) HTR2AHTR2CHTR2B
SCHEMBL8888059 0.70 HTR2A (0.61) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL4935456 0.70 HTR2C (0.61) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL8890016 0.70 HTR2A (0.61) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL8888063 0.70 HTR2C (0.65) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL6328142 0.69 HTR2C (0.56) HTR2AHTR2CHTR2BMTNR1BMTNR1A
Ammonia Solution, Strong SCHEMBL906002 0.69 HTR2C (0.64) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL7499133 0.68 HTR2A (0.62) HTR2AHTR2CHTR2BMTNR1BMTNR1A

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-5633276-A MELATONIN SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-05-27 US disclosed