SCHEMBL29945993

SCHEMBL29945993

COC(=O)c1ccc2nc(CCl)n(Cc3cncn3CC(F)(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.41
▸ GLP1R P43220 8/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TP53 P04637 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
SCHEMBL24265338 0.91 ACSS2 (0.46) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL30740718 0.91 ACSS2 (0.46) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL31159736 0.85 GLP1R (0.45) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL20266537 0.85 GLP1R (0.45) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL30686438 0.85 GLP1R (0.41) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL27111057 0.85 GLP1R (0.41) ACSS2GLP1RDRD2TBXA2RLCK
Hydrochloric Acid SCHEMBL30269640 0.84 GLP1R (0.44) ACSS2GLP1RDRD2TBXA2RLCK
Hydrochloric Acid SCHEMBL28910361 0.84 GLP1R (0.44) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL29945919 0.83 DRD2 (0.40) ACSS2GLP1RDRD2TBXA2RLCK
SCHEMBL22392102 0.83 GLP1R (0.44) ACSS2GLP1RHTR7HTR6

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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