SCHEMBL30771676

SCHEMBL30771676

Fc1ccc(-c2ccc3nc(N4CCCCC4)ccc3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ MAP4K4 O95819 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
SCHEMBL30771690 0.84 CNR2 (0.50) KDM4ECNR2HRH3KCNH2PIK3CA
SCHEMBL30771687 0.84 PDE10A (0.48) MAOBRXFP1HRH3KCNH2HTR3A
SCHEMBL30771688 0.84 PDE10A (0.47) MAOBKDM4ECNR2RXFP1HRH3
SCHEMBL30340909 0.83 MAOB (0.58) MAOBRXFP1HRH3HTR3AHRH4
SCHEMBL30771683 0.83 MAOB (0.62) MAOBRXFP1
SCHEMBL27163783 0.82 DGAT1 (0.41) HRH3KCNH2PIK3CAHTR3AHRH4
SCHEMBL23602728 0.81 DGAT1 (0.51) KDM4ERXFP1HRH3KCNH2
SCHEMBL30771677 0.81 MAOB (0.47) MAOBKDM4ECNR2HRH3KCNH2
Hydrochloric Acid SCHEMBL23578464 0.81 DGAT1 (0.50) KDM4EHRH3KCNH2
SCHEMBL25488432 0.80 RXFP1 (0.56) 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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