SCHEMBL30778342

SCHEMBL30778342

COc1c(C2CCN(C)CC2)ccc(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
HTR1F P30939 2/20 0.43
QDPR P09417 2/20 0.39
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.35
APP P05067 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL24753853 1.00 HTR1D (0.43) HTR1DHTR1BHTR1FQDPRALOX5AP
SCHEMBL521037 0.84 HTR1D (0.43) HTR1DHTR1BHTR1FQDPRALOX5AP
SCHEMBL30059220 0.84 HTR1D (0.39) HTR1DHTR1BHTR1FKCNH2DRD2
SCHEMBL24753217 0.84 HTR1D (0.39) HTR1DHTR1BHTR1FKCNH2DRD2
SCHEMBL29278431 0.82 HTR1D (0.39) HTR1DHTR1BHTR1FQDPRALOX5AP
SCHEMBL30058907 0.82 HTR1D (0.39) HTR1DHTR1BHTR1FQDPRALOX5AP
SCHEMBL24754264 0.81 HTR1F (0.38) HTR1DHTR1BHTR1FALOX5APFEN1
SCHEMBL24753203 0.81 FEN1 (0.40) HTR1DHTR1BHTR1FALOX5APFEN1
SCHEMBL30057743 0.81 FEN1 (0.40) HTR1DHTR1BHTR1FALOX5APFEN1
SCHEMBL30056959 0.81 HTR1F (0.38) HTR1DHTR1BHTR1FALOX5APFEN1

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
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