SCHEMBL8707686

SCHEMBL8707686

COc1ccc(N2Cc3ncccc3C2=O)cc1OC1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 9/20 0.45
NOX1 Q9Y5S8 2/20 0.41
CMA1 P23946 1/20 0.40
PKM P14618 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 4/20 0.39
UGCG Q16739 4/20 0.38

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
SCHEMBL8713427 0.87 HTR2C (0.42) HTR2CNOX1CMA1MCHR1HTR2A
SCHEMBL8713002 0.83 HTR2C (0.45) NPC1RAB9AHTR2CNOX1CMA1
SCHEMBL8710756 0.83 NPC1 (0.60) NPC1RAB9ATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8713359 0.83 HTR2C (0.44) NPC1RAB9AHTR2CNOX1CMA1
SCHEMBL8707865 0.81 MAPT (0.52) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8713322 0.81 MAPT (0.51) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL8707317 0.80 NR1H3 (0.51) NOX1CMA1MCHR1
SCHEMBL8708949 0.78 HTR2C (0.46) NPC1RAB9AMAPTSMN1; SMN2HTR2C
SCHEMBL8711349 0.78 HTR2C (0.46) NPC1RAB9AMAPTSMN1; SMN2HTR2C
SCHEMBL8708898 0.77 HTR2C (0.45) NPC1RAB9AMAPTSMN1; SMN2HTR2C

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