SCHEMBL29945919

SCHEMBL29945919

COC(=O)c1ccc2nc(CCl)n(Cc3cncn3C(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.40
▸ TBXA2R P21731 2/20 0.40
▸ ACSS2 Q9NR19 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ GLP1R P43220 5/20 0.37
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ CFTR P13569 1/20 0.35

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
SCHEMBL29945891 0.91 DRD2 (0.41) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL20266537 0.86 GLP1R (0.45) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL31159736 0.86 GLP1R (0.45) DRD2TBXA2RACSS2LCKKDM4E
Hydrochloric Acid SCHEMBL30269640 0.85 GLP1R (0.44) DRD2TBXA2RACSS2LCKKDM4E
Hydrochloric Acid SCHEMBL28910361 0.85 GLP1R (0.44) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL24265338 0.85 ACSS2 (0.46) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL30740718 0.85 ACSS2 (0.46) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL29945993 0.83 ACSS2 (0.41) DRD2TBXA2RACSS2LCKKDM4E
SCHEMBL30686438 0.81 GLP1R (0.41) DRD2TBXA2RACSS2LCKGLP1R
SCHEMBL27111057 0.81 GLP1R (0.41) DRD2TBXA2RACSS2LCKGLP1R

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
WO-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 — — WO disclosed
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