SCHEMBL30938745

SCHEMBL30938745

CCOC(=O)c1ccc2nc(C=C3CCN(C(=O)OC(C)(C)C)CC3)n(C[C@@H]3CCO3)c2c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 2/20 0.36
GRM5 P41594 1/20 0.35
ADORA1 P30542 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL29262336 1.00 ALDH1A1 (0.42) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL22550750 1.00 ALDH1A1 (0.42) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL22527875 0.91 THRB (0.38) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL22527873 0.91 THRB (0.38) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL22550751 0.85 CASP1 (0.36) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL30938756 0.85 CASP1 (0.36) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL29262342 0.85 CASP1 (0.36) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL22391742 0.83 LMNA (0.44) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL24401162 0.81 ADORA1 (0.39) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL24401166 0.78 ADORA1 (0.39) ALDH1A1LMNAMEN1GAAKMT2A

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-113853371-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2024-05-03 CN disclosed