SCHEMBL28934163

SCHEMBL28934163

C[C@H](Cl)c1nc2ccc(C(=O)O)nc2n1CC1CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 10/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ TSHR P16473 3/20 0.37

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
SCHEMBL28934160 1.00 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL28934162 1.00 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL29491605 1.00 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL28934435 1.00 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL23767420 0.91 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL23981020 0.91 GLP1R (0.42) GLP1RKCNH2KDM4EALDH1A1GAA
SCHEMBL25383537 0.88 ALDH1A1 (0.39) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL24485791 0.88 ALDH1A1 (0.39) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL30149274 0.88 ALDH1A1 (0.39) GLP1RKDM4EALDH1A1GAAHPGD
SCHEMBL30149295 0.88 ALDH1A1 (0.39) GLP1RKDM4EALDH1A1GAAHPGD

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-115461334-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-21 — — CN disclosed
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
CN-115461334-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-09 — — CN disclosed
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