SCHEMBL31662796

SCHEMBL31662796

CN[C@@H](C)C(=O)N1CCN(c2ccc(CN3C(=O)C(Cl)=C(Cl)C3O)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
PANK3 Q9H999 10/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
SMO Q99835 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.35
RORC P51449 1/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL31662699 0.87 GAA (0.39) ME2ME1ME3ALDH1A1MEN1
SCHEMBL31662802 0.82 RAB9A (0.41) AOC3ME2ME1ME3KMT2A
SCHEMBL31662839 0.81 MC4R (0.37) ALDH1A1KMT2A
SCHEMBL31662817 0.81 GPR119 (0.50)
SCHEMBL31662831 0.80 MC4R (0.38) ALDH1A1MEN1KMT2A
SCHEMBL31663179 0.78 TLR7 (0.39) AOC3ALDH1A1
SCHEMBL31662784 0.78 GAA (0.43) HRH3ALDH1A1
SCHEMBL31662904 0.76 MAPT (0.35) PANK3ALDH1A1RORCGFER
SCHEMBL31662883 0.74 GAA (0.38) ME2ME1ME3RORCMEN1
SCHEMBL31662874 0.73 HPGDS (0.41) ALDH1A1

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
WO-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed