SCHEMBL30938765

SCHEMBL30938765

CCOC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
OPRK1 P41145 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 5/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
FEN1 P39748 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29262316 1.00 CASP1 (0.40) CASP1CASP7HSD17B10OPRK1TSHR
SCHEMBL22392052 1.00 CASP1 (0.40) CASP1CASP7HSD17B10OPRK1TSHR
SCHEMBL32669487 0.91 CASP1 (0.40) CASP1CASP7HSD17B10OPRK1TSHR
SCHEMBL22392010 0.91 CASP1 (0.40) CASP1CASP7HSD17B10OPRK1TSHR
SCHEMBL22009782 0.90 GLP1R (0.36) CASP1CASP7HSD17B10TSHRKDM4E
SCHEMBL30174474 0.90 GLP1R (0.36) CASP1CASP7HSD17B10TSHRKDM4E
SCHEMBL29097938 0.90 GLP1R (0.36) CASP1CASP7HSD17B10TSHRKDM4E
SCHEMBL22392029 0.86 KCNH2 (0.38) CASP1CASP7HSD17B10OPRK1TSHR
SCHEMBL22527886 0.85 GLP1R (0.39) KDM4EGLA
SCHEMBL22061831 0.85 GLP1R (0.39) KDM4EGLA

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-113853371-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2024-05-03 CN disclosed