SCHEMBL31483032

SCHEMBL31483032

COc1ccccc1OCCNC(N)=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.77
MTNR1B P49286 1/20 0.77
NPC1 O15118 3/20 0.63
HSP90AA1 P07900 1/20 0.63
KMT2A Q03164 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.59
LMNA P02545 3/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL7072684 0.87 MTNR1A (0.77) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL6195294 0.87 MTNR1A (1.00) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL20463424 0.84 MTNR1A (0.72) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL7448429 0.83 MTNR1A (0.67) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL13721 0.82 MTNR1A (0.53) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL31483024 0.82 RAB9A (0.59) MTNR1AMTNR1BNPC1KMT2AHPGD
SCHEMBL20456218 0.81 MTNR1A (0.68) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL8471418 0.81 MTNR1A (0.63) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL3049469 0.81 MTNR1A (0.63) MTNR1AMTNR1BNPC1HSP90AA1KMT2A
SCHEMBL2830568 0.80 MTNR1A (0.67) MTNR1AMTNR1BNPC1HSP90AA1KMT2A

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