SCHEMBL27265682

SCHEMBL27265682

Cc1cc2ccccc2n2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
IKBKB O14920 1/20 0.42
MAPK8 P45983 7/20 0.40
ADORA2A P29274 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FLT1 P17948 1/20 0.37
CDK8 P49336 1/20 0.37
CDK9 P50750 1/20 0.37
LIMK1 P53667 1/20 0.37
ROCK1 Q13464 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL1772018 0.79 MAPK8 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19036185 0.75 MAPK8 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27244322 0.74 DAO (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27244340 0.73 KDM4E (0.50) L3MBTL1
SCHEMBL12074764 0.73 CCNE1 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29789954 0.73 IKBKB (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13131265 0.72 PTPN2 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27265681 0.72 NPC1 (0.50) L3MBTL1
SCHEMBL15479137 0.72 PTPN1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19606124 0.70 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C

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-2024107555-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-23 WO disclosed