SCHEMBL30057743

SCHEMBL30057743

CN1CCC(c2ccc(N)c(N)c2OCC2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.40
ALOX5AP P20292 5/20 0.40
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
HTR1F P30939 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CNR2 P34972 3/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPC6 Q9Y210 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
SCHEMBL24753203 1.00 FEN1 (0.40) FEN1ALOX5APHTR1DHTR1BHTR1F
SCHEMBL24753591 0.87 ALOX5AP (0.39) FEN1ALOX5APHRH3
SCHEMBL30056958 0.87 ALOX5AP (0.39) FEN1ALOX5APHRH3
SCHEMBL30059220 0.86 HTR1D (0.39) HTR1DHTR1BHTR1FHDAC3HDAC1
SCHEMBL24753217 0.86 HTR1D (0.39) HTR1DHTR1BHTR1FHDAC3HDAC1
SCHEMBL24754264 0.84 HTR1F (0.38) FEN1ALOX5APHTR1DHTR1BHTR1F
SCHEMBL30056959 0.84 HTR1F (0.38) FEN1ALOX5APHTR1DHTR1BHTR1F
SCHEMBL30057116 0.83 HTR1D (0.37) FEN1ALOX5APHTR1DHTR1BHTR1F
SCHEMBL24753204 0.83 HTR1D (0.37) FEN1ALOX5APHTR1DHTR1BHTR1F
SCHEMBL24753215 0.82 HTR1D (0.36) FEN1ALOX5APHTR1DHTR1BHTR1F

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 2 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