SCHEMBL30771687

SCHEMBL30771687

Fc1cc(-c2ccc3nc(N4CCCCC4)ccc3c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.48
▸ MAOB P27338 4/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ CSNK1D P48730 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ AAK1 Q2M2I8 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) PDE10ARXFP1HRH3HTR3AHRH4
SCHEMBL30771676 0.84 MAOB (0.44) MAOBRXFP1HRH3HTR3AHRH4
SCHEMBL30340907 0.83 CSNK1D (0.50) MAOBRXFP1CSNK1DMAPK11MAPK14
SCHEMBL30340909 0.83 MAOB (0.58) MAOBRXFP1HRH3HTR3AHRH4
SCHEMBL27163778 0.82 PDE10A (0.45) PDE10AHRH3
SCHEMBL23603147 0.81 PDE4A (0.46) PDE10AHRH3KCNH2
Hydrochloric Acid SCHEMBL29830105 0.81 PDE4A (0.46) PDE10AHRH3KCNH2
Hydrochloric Acid SCHEMBL23578483 0.81 PDE4A (0.46) PDE10AHRH3KCNH2
SCHEMBL30771683 0.80 MAOB (0.62) PDE10AMAOBRXFP1MAPT
SCHEMBL30771693 0.78 PIM1 (0.51) MAOBRXFP1HRH3HTR3AHRH4

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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