SCHEMBL30431544

SCHEMBL30431544

O=C(O)c1ccc2c(n1)NCN2C[C@@H]1CCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.34
▸ GLP1R P43220 5/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ GLA P06280 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL30431358 0.86 ALDH1A1 (0.35) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL30259364 0.74 KDM4C (0.42) KDM4CKDM4EALDH1A1GAAHSD17B10
SCHEMBL28934100 0.72 TRPA1 (0.32) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL29668584 0.72 TRPA1 (0.32) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL28934101 0.72 TRPA1 (0.32) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL28934099 0.72 TRPA1 (0.32) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL25405514 0.67 GLP1R (0.41) KDM4CGLP1RKDM4EALDH1A1GAA
SCHEMBL29392201 0.67 GLP1R (0.41) KDM4CGLP1RKDM4EALDH1A1GAA
SCHEMBL25405520 0.67 GLP1R (0.41) KDM4CGLP1RKDM4EALDH1A1GAA
SCHEMBL25538885 0.67 GLP1R (0.44) GLP1RKDM4EHSD17B10PTGER4GLA

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-116217558-A GLP-1 receptor agonist, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-06-06 — — CN disclosed
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