SCHEMBL30771690

SCHEMBL30771690

Cc1ccc(-c2ccc3nc(N4CCCCC4)ccc3c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.46
▸ HTR3A P46098 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ TLR8 Q9NR97 2/20 0.43
▸ TLR7 Q9NYK1 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30771684 0.84 PDE10A (0.45) CNR2KDM4EHTR3AHRH4PDE10A
SCHEMBL30771676 0.84 MAOB (0.44) CNR2KDM4EHTR3AHRH4PIK3CA
SCHEMBL30771677 0.84 MAOB (0.47) CNR2KDM4EHTR3AHRH4PIK3CD
SCHEMBL27163035 0.83 PDE10A (0.45) HTR3AHRH4PDE10AKCNH2HRH3
SCHEMBL23602269 0.82 DGAT1 (0.47) KDM4EPDE10AKCNH2HRH3GAA
SCHEMBL30771686 0.82 FTO (0.49) CNR2KDM4EHTR3AHRH4KCNH2
SCHEMBL30771681 0.82 CYP11B2 (0.50) KDM4EALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL29829711 0.81 DGAT1 (0.46) KDM4EPDE10AKCNH2HRH3GAA
Hydrochloric Acid SCHEMBL28803631 0.81 DGAT1 (0.46) KDM4EPDE10AKCNH2HRH3GAA
SCHEMBL30771688 0.81 PDE10A (0.47) CNR2KDM4EPDE10APIK3CDPIK3CA

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
EP-4081304-B1 ANTIBACTERIAL QUINOLINES TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2024-03-06 — — EP claimed
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