SCHEMBL8888063

SCHEMBL8888063

NCCN1CCc2ccc3c(c21)CCO3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.65
HTR2A P28223 10/20 0.65
HTR2B P41595 6/20 0.65
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
NR4A1 P22736 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PNMT P11086 1/20 0.35
HIF1A Q16665 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL7499133 0.92 HTR2A (0.62) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8888882 0.92 HTR2C (0.67) HTR2CHTR2AHTR2BHTR1AHTR1D
Ammonia Solution, Strong SCHEMBL906002 0.84 HTR2C (0.64) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL7493732 0.83 HTR2C (0.64) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL25882779 0.82 HTR2C (0.68) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL4935456 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL8890016 0.79 HTR2A (0.61) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL8888059 0.79 HTR2A (0.61) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL905999 0.79 HTR2C (1.00) HTR2CHTR2AHTR2BHTR1ALMNA
SCHEMBL6328136 0.79 HTR2C (1.00) HTR2CHTR2AHTR2BHTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736028-A1 INDOLINE DERIVATIVES, METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 1996-10-09 EP claimed
WO-1995017405-A1 INDOLINE DERIVATIVES, METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 1995-06-29 WO claimed
US-5633276-A MELATONIN SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1997-05-27 US disclosed