SCHEMBL30740725

SCHEMBL30740725

CCn1cncc1Cn1c(C=O)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ GLP1R P43220 6/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TBXA2R P21731 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
SCHEMBL29826142 1.00 ACSS2 (0.46) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL24900035 0.86 ACSS2 (0.47) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL30020641 0.86 ACSS2 (0.47) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL30740795 0.85 ACSS2 (0.46) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL29826815 0.85 ACSS2 (0.46) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL30740718 0.84 ACSS2 (0.46) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL24265338 0.84 ACSS2 (0.46) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL29559350 0.79 BRD4 (0.47) ACSS2KDM4EHTR7HTR6LCK
SCHEMBL29825972 0.79 GLP1R (0.51) ACSS2KDM4EHTR7HTR6GLP1R
SCHEMBL30740849 0.79 GLP1R (0.51) ACSS2KDM4EHTR7HTR6GLP1R

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
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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