SCHEMBL7637484

SCHEMBL7637484

CC(NCc1ccccc1)[C@@H](O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.79
MAPK1 P28482 3/20 0.79
NPSR1 Q6W5P4 2/20 0.79
ALDH1A1 P00352 1/20 0.79
HTT P42858 1/20 0.79
CYP2D6 P10635 4/20 0.77
CYP2C19 P33261 4/20 0.77
CYP1A2 P05177 3/20 0.77
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
POLB P06746 1/20 0.60
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 2/20 0.58
ADRA1A P35348 2/20 0.58
TSHR P16473 2/20 0.58
ADRA2C P18825 2/20 0.58
NFKB1 P19838 2/20 0.58
HTR2A P28223 2/20 0.58
CHRM2 P08172 1/20 0.58

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
SCHEMBL7785516 1.00 LMNA (0.79) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL5270097 1.00 LMNA (0.79) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL7632054 0.90 LMNA (0.75) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL5266094 0.90 LMNA (0.75) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL7632049 0.90 LMNA (0.75) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL5266000 0.90 LMNA (0.97) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL5270601 0.90 MAPK1 (0.66) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL7634994 0.90 LMNA (0.97) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL10880250 0.90 LMNA (0.75) LMNAMAPK1NPSR1ALDH1A1HTT
SCHEMBL14465570 0.90 LMNA (0.66) LMNAMAPK1NPSR1ALDH1A1HTT

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
US-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 US disclosed