SCHEMBL8554144

SCHEMBL8554144

CNC(=O)c1ccc2c(c1)CCOC2CCCl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.61
DRD2 P14416 6/20 0.58
HTR2A P28223 5/20 0.58
HTR1A P08908 4/20 0.58
HTR1B P28222 4/20 0.58
DRD4 P21917 2/20 0.58
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
SLC6A4 P31645 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8549578 0.89 HTR1D (0.62) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6811792 0.82 HTR1D (0.55) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6812173 0.82 HTR1D (0.55) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8808806 0.79 HTR1D (0.91) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8550249 0.78 HTR1D (0.85) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6995396 0.78 HTR1D (0.51) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8811237 0.77 HTR1D (0.67) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8549468 0.77 HTR1D (0.86) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8548667 0.77 HTR1D (1.00) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL8550684 0.77 HTR1D (0.86) HTR1DDRD2HTR2AHTR1AHTR1B

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-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP disclosed