SCHEMBL24754264

SCHEMBL24754264

CCCOc1c(C2CCN(C)CC2)ccc(N)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
DRD2 P14416 3/20 0.35
SLC6A4 P31645 2/20 0.35
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TRPC6 Q9Y210 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
MLNR O43193 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL30056959 1.00 HTR1F (0.38) HTR1FHTR1DHTR1BDRD2SLC6A4
SCHEMBL24753217 0.89 HTR1D (0.39) HTR1FHTR1DHTR1BDRD2SLC6A4
SCHEMBL30059220 0.89 HTR1D (0.39) HTR1FHTR1DHTR1BDRD2SLC6A4
SCHEMBL30057743 0.84 FEN1 (0.40) HTR1FHTR1DHTR1BALOX5APFEN1
SCHEMBL24753203 0.84 FEN1 (0.40) HTR1FHTR1DHTR1BALOX5APFEN1
SCHEMBL24753204 0.83 HTR1D (0.37) HTR1FHTR1DHTR1BALOX5APFEN1
SCHEMBL30057116 0.83 HTR1D (0.37) HTR1FHTR1DHTR1BALOX5APFEN1
SCHEMBL24753215 0.82 HTR1D (0.36) HTR1FHTR1DHTR1BALOX5APFEN1
SCHEMBL24753631 0.82 SCN9A (0.38) HTR1FHTR1DHTR1BDRD2ALOX5AP
SCHEMBL30778318 0.82 HTR1D (0.36) HTR1FHTR1DHTR1BALOX5APFEN1

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
CN-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 CN disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 WO disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 WO disclosed