SCHEMBL7092834

SCHEMBL7092834

CC1CNC(=O)O1.Cc1cc2ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.40
PDE3A Q14432 11/20 0.40
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
PKM P14618 1/20 0.38
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL2366380 0.77
SCHEMBL1063161 0.77
SCHEMBL2366362 0.77
SCHEMBL28843423 0.70 LMNA (0.43) LMNAMAOASLC6A2PKM
SCHEMBL11550886 0.67 LMNA (0.33) LMNAMAOASLC6A2PKM
Ammonia Solution, Strong SCHEMBL4602569 0.66
Bromide SCHEMBL28927015 0.66
SCHEMBL5334234 0.66
Hydrogen Sulfide SCHEMBL28451021 0.66
SCHEMBL29295526 0.66 MAOB (0.46) NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075150-B Method for preparing chiral amino alcohol derivative by asymmetric hydrocarbon bond amination under nonmetal catalysis 浙江大学 2023-06-16 CN disclosed
WO-2003084532-A1 LIPOIC ACID ANALOGS USEFUL AS PROVITAMINS AND ANTIOXIDANTS AVERY MITCHELL A (US) 2003-10-16 WO disclosed