SCHEMBL30149296

SCHEMBL30149296

CCc1nc2ccc(C(=O)OC)nc2n1C[C@@H]1CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 9/20 0.41
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL25543735 1.00 GLP1R (0.41) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL20288189 0.90 GLP1R (0.42) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL20280071 0.90 GLP1R (0.42) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL29480797 0.90 GLP1R (0.42) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL29480799 0.90 GLP1R (0.42) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL30474081 0.89 GLP1R (0.41) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL31413112 0.89 GLP1R (0.41) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL30259555 0.89 GLP1R (0.41) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL25435836 0.87 GLP1R (0.49) GLP1RKCNH2ALDH1A1MAPK1CYP1A2
SCHEMBL30432674 0.87 GLP1R (0.49) GLP1RKCNH2ALDH1A1MAPK1CYP1A2

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-115461334-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-09 CN disclosed