SCHEMBL30409967

SCHEMBL30409967

O=Cc1ccc(OCCCCCCN2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
HRH3 Q9Y5N1 14/20 0.64
MAOA P21397 2/20 0.62
MAOB P27338 2/20 0.62
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KCNH2 Q12809 1/20 0.61
HRH4 Q9H3N8 1/20 0.61

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
SCHEMBL30410512 1.00 MEN1 (0.66) MEN1LMNAHTTKMT2AHRH3
SCHEMBL30409879 0.98 HRH3 (0.67) MEN1LMNAHTTKMT2AHRH3
SCHEMBL30410433 0.98 HRH3 (0.67) MEN1LMNAHTTKMT2AHRH3
SCHEMBL30409990 0.98 HRH3 (0.65) MEN1LMNAHTTKMT2AHRH3
SCHEMBL30411052 0.97 HRH3 (0.68) MEN1LMNAHTTKMT2AHRH3
SCHEMBL2005536 0.94 HRH3 (0.67) HRH3KCNH2
SCHEMBL491848 0.92 HRH3 (0.69) HRH3KCNH2
Hydrochloric Acid SCHEMBL5692315 0.91 HRH3 (0.68) HRH3KCNH2
SCHEMBL5856367 0.91 HRH3 (0.68) HRH3KCNH2
SCHEMBL2249200 0.89 LTA4H (0.68) HRH3

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-4168396-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Universite De Franche Comte (FR) 2023-04-26 EP disclosed