SCHEMBL29170125

SCHEMBL29170125

COc1cc(C(=O)O)cc(NC[C@@H]2CCO2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.53
▸ MAPT P10636 12/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL29170127 1.00 HCAR3 (0.53) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30087167 0.91 MAPT (0.46) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30087168 0.91 MAPT (0.46) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL29170112 0.91 MAPT (0.46) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL29170113 0.91 MAPT (0.46) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL30966512 0.89 HCAR3 (0.51) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL27205213 0.85 HCAR3 (0.47) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL27176916 0.85 HCAR3 (0.47) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL23273541 0.83 HCAR3 (0.55) HCAR3MAPTALDH1A1KMT2AMEN1
SCHEMBL23273542 0.83 HCAR3 (0.55) HCAR3MAPTALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 — — CN disclosed
CN-118103366-A Certain 2, 5-diazabicyclo [4.2.0] octanes as GLP-1 receptor modulators 阿斯利康(瑞典)有限公司 2024-05-28 — — CN disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 — — CN disclosed
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