SCHEMBL8713427

SCHEMBL8713427

COc1ccc(N2Cc3cccnc3C2=O)cc1OC1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.42
MCHR1 Q99705 10/20 0.42
HTR2B P41595 3/20 0.41
CMA1 P23946 1/20 0.41
HTR2A P28223 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
UGCG Q16739 1/20 0.39

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
SCHEMBL8707686 0.87 NPC1 (0.46) HTR2CMCHR1HTR2BCMA1HTR2A
SCHEMBL8713002 0.83 HTR2C (0.45) HTR2CMCHR1HTR2BCMA1HTR2A
SCHEMBL8709027 0.83 HTR2C (0.46) HTR2CMCHR1HTR2BHTR2A
Hydrochloric Acid SCHEMBL8713359 0.82 HTR2C (0.44) HTR2CMCHR1HTR2BCMA1HTR2A
SCHEMBL8708345 0.82 HTR2C (0.47) HTR2CMCHR1HTR2BHTR2A
SCHEMBL8709549 0.80 HTR2C (0.41) HTR2CMCHR1HTR2BHTR2A
SCHEMBL8708949 0.78 HTR2C (0.46) HTR2CMCHR1HTR2BCMA1HTR2A
SCHEMBL8711349 0.78 HTR2C (0.46) HTR2CMCHR1HTR2BCMA1HTR2A
SCHEMBL8707317 0.77 NR1H3 (0.51) MCHR1CMA1NOX1
SCHEMBL8708898 0.77 HTR2C (0.45) HTR2CMCHR1HTR2BCMA1HTR2A

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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed