SCHEMBL28547335

SCHEMBL28547335

CSc1nccc(C2CCN(C(=O)OC(C)(C)C)C(c3ccnc(SC)n3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.37
WNT3A P56704 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PRMT5 O14744 2/20 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
SCHEMBL25063295 0.86 ALDH1A1 (0.41) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL23929008 0.84 GPR119 (0.48) GPR119WNT3AMAPTKDM4EPRMT5
SCHEMBL29008821 0.73 MEN1 (0.42) ALDH1A1GRM5MEN1LMNATSHR
SCHEMBL29488978 0.72 TSHR (0.46) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL24369026 0.72 TSHR (0.46) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL1428081 0.71 UCHL1 (0.46) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL23235678 0.71 KMT2A (0.38) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL28974034 0.71 GPR119 (0.43) GPR119
SCHEMBL25063294 0.70 ALDH1A1 (0.40) GPR119ALDH1A1MEN1LMNATSHR
SCHEMBL23579942 0.70 GPR119 (0.50) GPR119MEN1LMNAKMT2AMAPT

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-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 CN disclosed