SCHEMBL28529454

SCHEMBL28529454

C#CC[C@@H](CO)OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LMNA P02545 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL28529455 1.00 GRIK1 (0.33) GRIK1GRIK2LMNACHRM2CHRM4
SCHEMBL2480097 0.79
SCHEMBL29142203 0.79 MCL1 (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29142202 0.79 MCL1 (0.34) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6415734 0.79 LMNA (0.32) GRIK1GRIK2LMNACHRM2CHRM4
SCHEMBL1899748 0.79 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL228837 0.76 LMNA (0.34) GRIK1GRIK2LMNACHRM2CHRM4
SCHEMBL18343830 0.73
SCHEMBL14689517 0.72
SCHEMBL11520643 0.71 MAPT (0.35) LMNACHRM2CHRM4CHRM5CHRM1

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-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
CN-112351778-A Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-02-09 CN disclosed