SCHEMBL27366827

SCHEMBL27366827

COc1cnc2cccc(CCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.56
MTNR1A P48039 6/20 0.56
PDE10A Q9Y233 6/20 0.48
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 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
SCHEMBL31331827 1.00 MTNR1B (0.56) MTNR1BMTNR1APDE10ALMNARXFP1
SCHEMBL29421589 0.80 LMNA (0.63) MTNR1BMTNR1ALMNARXFP1ALDH1A1
SCHEMBL121145 0.80 LMNA (0.63) MTNR1BMTNR1ALMNARXFP1ALDH1A1
SCHEMBL27366803 0.77 HSD17B10 (0.56) PDE10AALDH1A1RAB9AMEN1MAPT
SCHEMBL14400285 0.77 MTNR1B (0.64) MTNR1BMTNR1ARXFP1ALDH1A1HPGD
SCHEMBL27366858 0.76 MTNR1B (0.65) MTNR1BMTNR1ANPSR1MAPT
SCHEMBL591672 0.75 MTNR1A (0.62) MTNR1BMTNR1A
SCHEMBL13652333 0.75 LMNA (0.45) PDE10ALMNARXFP1ALDH1A1HPGD
SCHEMBL591634 0.74 MTNR1A (0.68) MTNR1BMTNR1ALMNA
SCHEMBL27366855 0.74 HTR2A (0.60) MTNR1BMTNR1A

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-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed