SCHEMBL28944831

SCHEMBL28944831

COC(=O)C1(c2ccnc(SC)n2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ CTPS1 P17812 2/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ CHRNA7 P36544 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
SCHEMBL23121052 0.89 CTPS1 (0.43) ATMCTPS1CCNA2CDK2TSHR
SCHEMBL22749385 0.85 POLB (0.44) ATMCTPS1TSHRALOX15PKM
SCHEMBL22758513 0.81 TSHR (0.40) ATMTSHRALOX15PKMACHE
SCHEMBL21392144 0.81 CTPS1 (0.60) ATMCTPS1TSHRALOX15DDB1
SCHEMBL22758510 0.81 FFAR4 (0.36) CCNA2CDK2ALOX15
SCHEMBL11963328 0.79 PKM (0.44) ATMTSHRALOX15PKMGPR119
SCHEMBL1488745 0.78 SYK (0.39) CCNA2CDK2ACHESYKPOLB
SCHEMBL21392143 0.78 CTPS1 (0.62) ATMCTPS1DDB1CRBNGPR119
SCHEMBL22758512 0.78 FFAR4 (0.35) CCNA2CDK2ALOX15
SCHEMBL21392151 0.78 FFAR4 (0.37) CTPS1ALOX15PKM

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-113831337-B GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2023-03-24 — — CN disclosed
CN-113831337-A GLP-1 receptor agonist, and pharmaceutical composition and use thereof 广州市恒诺康医药科技有限公司 2021-12-24 — — CN disclosed
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