SCHEMBL30686438

SCHEMBL30686438

COC(=O)c1ccc2nc(CCl)n(Cc3cncn3CC3CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.41
▸ NLRP3 Q96P20 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 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
SCHEMBL27111057 1.00 GLP1R (0.41) GLP1RNLRP3DRD2TBXA2RACSS2
SCHEMBL30686426 0.88 KDM4E (0.46) GLP1RNLRP3ACSS2PTGER4LCK
SCHEMBL24265338 0.88 ACSS2 (0.46) GLP1RDRD2TBXA2RACSS2LCK
SCHEMBL30740718 0.88 ACSS2 (0.46) GLP1RDRD2TBXA2RACSS2LCK
SCHEMBL29945993 0.85 ACSS2 (0.41) GLP1RDRD2TBXA2RACSS2LCK
SCHEMBL20266537 0.84 GLP1R (0.45) GLP1RDRD2TBXA2RACSS2LCK
SCHEMBL31159736 0.84 GLP1R (0.45) GLP1RDRD2TBXA2RACSS2LCK
Hydrochloric Acid SCHEMBL30269640 0.83 GLP1R (0.44) GLP1RDRD2TBXA2RACSS2LCK
Hydrochloric Acid SCHEMBL28910361 0.83 GLP1R (0.44) GLP1RDRD2TBXA2RACSS2LCK
SCHEMBL29945891 0.81 DRD2 (0.41) GLP1RDRD2TBXA2RACSS2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242067-B Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2025-03-25 — — CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 — — CN disclosed
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