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
SCHEMBL21596070 0.84 MTNR1A (0.75) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL21099911 0.84 MTNR1A (0.51) MTNR1AMTNR1BNPC1ALDH1A1SMN1; SMN2
SCHEMBL31483051 0.83 SMN1; SMN2 (0.53) MTNR1AMTNR1BNPC1ALDH1A1NPSR1
SCHEMBL10310260 0.83 MTNR1A (0.63) 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
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