SCHEMBL24723263

SCHEMBL24723263

CC(=O)Oc1cccc2[nH]cc(CC(=O)N(C)C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR2A P28223 8/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1A P08908 2/20 0.46
HTR6 P50406 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
DNMT1 P26358 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL29993190 0.87 HTR6 (0.61) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL24723312 0.87 HTR6 (0.61) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL24043693 0.85 KMT2A (0.43) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL29992742 0.84 HTR6 (0.51) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL4225666 0.82 HTR6 (0.70) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL29400156 0.82 HTR6 (0.70) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL29394272 0.80 HTR6 (0.53) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL30374467 0.80 HTR2A (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL24723326 0.80 GAA (0.68) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL20970924 0.79 HTR6 (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed