SCHEMBL30409990

SCHEMBL30409990

O=Cc1ccc(OCCCCN2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.65
ATM Q13315 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL30409967 0.98 MEN1 (0.66) HRH3ATML3MBTL1MEN1LMNA
SCHEMBL30411052 0.98 HRH3 (0.68) HRH3ATML3MBTL1MEN1LMNA
SCHEMBL30410512 0.98 MEN1 (0.66) HRH3ATML3MBTL1MEN1LMNA
SCHEMBL30409879 0.97 HRH3 (0.67) HRH3ATML3MBTL1MEN1LMNA
SCHEMBL30410433 0.97 HRH3 (0.67) HRH3ATML3MBTL1MEN1LMNA
SCHEMBL2005536 0.95 HRH3 (0.67) HRH3KDM4EALDH1A1KCNH2
SCHEMBL491848 0.94 HRH3 (0.69) HRH3KCNH2
Hydrochloric Acid SCHEMBL5692315 0.92 HRH3 (0.68) HRH3KCNH2
SCHEMBL5856367 0.92 HRH3 (0.68) HRH3KCNH2
SCHEMBL2249200 0.90 LTA4H (0.68) HRH3KDM4E

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