SCHEMBL29668677

SCHEMBL29668677

CC(C)(C)OC(=O)N1CC=C(c2nccc(OCc3ccc(C#N)cc3F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.44
ELANE P08246 3/20 0.43
GRM5 P41594 5/20 0.43
GRM1 Q13255 5/20 0.43
KDM1A O60341 1/20 0.41
CDK9 P50750 3/20 0.40
CCNT1 O60563 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GLP1R P43220 1/20 0.40

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
SCHEMBL22933049 1.00 GPR119 (0.44) GPR119ELANEGRM5GRM1KDM1A
SCHEMBL28934327 0.88 GLP1R (0.42) GLP1R
SCHEMBL22391651 0.88 GRM1 (0.44) GPR119GRM5GRM1CDK9CCNT1
SCHEMBL22391958 0.87 GLP1R (0.47) GPR119ELANEGRM5GRM1GLP1R
SCHEMBL29947339 0.87 GLP1R (0.47) GPR119ELANEGRM5GRM1GLP1R
SCHEMBL24498578 0.86 GRM1 (0.46) GPR119ELANEGRM5GRM1KDM1A
SCHEMBL22932920 0.85 GPR119 (0.47) GPR119ELANEGRM5GRM1KDM1A
SCHEMBL28934146 0.83 GLP1R (0.40) GPR119GLP1R
SCHEMBL24574672 0.82 GRM5 (0.48) GPR119ELANEGRM5GRM1KDM1A
SCHEMBL30237145 0.82 GRM5 (0.48) GPR119ELANEGRM5GRM1KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461334-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-21 CN disclosed
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
WO-2022111624-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-06-02 WO disclosed