SCHEMBL29668697

SCHEMBL29668697

Fc1cc(Cl)ccc1COc1cccc(N2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
HTR3A P46098 3/20 0.53
CHRM4 P08173 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
FPR3 P25089 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
GPR183 P32249 1/20 0.53
HTR7 P34969 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
GPR35 Q9HC97 1/20 0.53

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
SCHEMBL24147522 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BHTR3ACHRM4
Hydrochloric Acid SCHEMBL25385019 0.99 HTR3A (0.54) HTR2AHTR2CHTR2BHTR3ACHRM4
Trifluoroacetic Acid SCHEMBL30662664 0.91 GLP1R (0.51) HTR2AHTR2CHTR2BHTR3ACHRM4
SCHEMBL30149339 0.89 GLP1R (0.51) HTR1AGLP1R
SCHEMBL25089610 0.86 GLP1R (0.49) GLP1R
SCHEMBL24320733 0.86 GLP1R (0.55) GLP1R
SCHEMBL26913967 0.86 GLP1R (0.55) GLP1R
SCHEMBL20266485 0.85 GLP1R (0.51) GLP1R
SCHEMBL29574507 0.85 GLP1R (0.51) GLP1R
SCHEMBL20288036 0.84 GLP1R (0.48) HTR2AHTR2CHTR2BHTR3ACHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 CN disclosed
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