SCHEMBL30028243

SCHEMBL30028243

COc1cc(CCNC(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.86
MTNR1B P49286 4/20 0.86
ALDH1A1 P00352 3/20 0.62
BCHE P06276 2/20 0.62
APP P05067 1/20 0.61
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ABCB1 P08183 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL13139208 0.95 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1BCHEMEN1
SCHEMBL30028937 0.92 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL25773443 0.89 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL30027521 0.88 MTNR1A (0.75) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL11716101 0.88 MTNR1B (0.68) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL18736058 0.88 MTNR1A (0.72) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL27781943 0.87 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL6376395 0.87 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1BCHEMEN1
SCHEMBL16220573 0.86 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1BCHEMEN1
SCHEMBL16380139 0.86 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1BCHEMEN1

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
CN-115260185-A Deuterated derivatives of corydaline and stepholidine and preparation method thereof 杨征 2022-11-01 CN disclosed