SCHEMBL29003181

SCHEMBL29003181

CC1CN(C(=O)O)CCN1c1ncc(Cl)c(S(C)(=O)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.42
SLC6A7 Q99884 1/20 0.39
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 5/20 0.38
MMP2 P08253 1/20 0.37
KCNH2 Q12809 1/20 0.36
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL29003177 1.00 GPR119 (0.42) GPR119SLC6A7NR1H2NR1H3MMP2
SCHEMBL29412824 0.85 GPR119 (0.60) GPR119
SCHEMBL29003150 0.85 GPR119 (0.60) GPR119
SCHEMBL24348654 0.85 GPR119 (0.60) GPR119
SCHEMBL29003128 0.81 SLC6A7 (0.40) GPR119SLC6A7MMP2ALDH1A1
SCHEMBL29003133 0.81 SLC6A7 (0.40) GPR119SLC6A7MMP2ALDH1A1
SCHEMBL16822 0.74 SLC6A7 (0.49) GPR119SLC6A7KCNH2
SCHEMBL18152253 0.74 SLC6A7 (0.49) GPR119SLC6A7KCNH2
SCHEMBL5476032 0.74 SLC6A7 (0.49) GPR119SLC6A7KCNH2
SCHEMBL24349653 0.72 GPR119 (0.49) GPR119NR1H2NR1H3

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-116157122-A Imidazo [1,2-a ] pyridine compounds and their use in therapy 帝国理工学院创新有限公司 2023-05-23 CN disclosed