SCHEMBL30283480

SCHEMBL30283480

CN(CCC(N)=O)c1ccc2c(-c3ccc(F)cc3Cl)c[nH]c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ TDO2 P48775 5/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CNR2 P34972 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ FLT3 P36888 1/20 0.31

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
SCHEMBL30284081 0.91 PTGDR2 (0.39) GRM2TDO2PTGDR2CNR2NPC1
SCHEMBL30283445 0.79 ROCK1 (0.37) GPBAR1
SCHEMBL30228195 0.79 MEN1 (0.42) GRM2PTGDR2CNR2NPC1
SCHEMBL30283297 0.73 PARP1 (0.39) GRM2TDO2
SCHEMBL30283713 0.70 PRKAB2 (0.44) MAPK14
SCHEMBL30283959 0.70 PARP1 (0.49) GRM2
SCHEMBL25276999 0.70 GRM2 (0.39) GRM2CNR2MAPK14GPBAR1HTR5A
SCHEMBL30283574 0.70 PARP15 (0.40) MAPK14
SCHEMBL30283918 0.70 ROCK1 (0.38) —
SCHEMBL30283577 0.69 ALDH1A1 (0.39) PTGDR2MAPK14

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-2023034344-A1 ISOQUINOLINONES AND QUINOLINONES AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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