SCHEMBL31483087

SCHEMBL31483087

COc1ccc(OCCNC(N)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.73
MTNR1B P49286 3/20 0.73
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ATM Q13315 1/20 0.55
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL807668 0.86 NPC1 (0.69) MTNR1AMTNR1BNPC1ALDH1A1KMT2A
SCHEMBL21099911 0.84 MTNR1A (0.51) MTNR1AMTNR1BNPC1ALDH1A1SMN1; SMN2
SCHEMBL21596070 0.84 MTNR1A (0.75) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL10310260 0.83 MTNR1A (0.63) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL31483051 0.83 SMN1; SMN2 (0.53) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL1053081 0.82 MTNR1A (0.69) MTNR1AMTNR1BNPC1SMN1; SMN2RECQL
SCHEMBL13531977 0.82 RAB9A (0.55) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL15759570 0.81 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1KMT2ASMN1; SMN2
SCHEMBL13615630 0.80 MTNR1A (0.48) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL6539856 0.79 MTNR1A (0.48) MTNR1AMTNR1BNPC1ALDH1A1NPSR1

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-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed