SCHEMBL7430663

SCHEMBL7430663

Nc1c(Cl)cc(C(=O)NCCC23CCCN2CCC3)c2c1CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 1.00
HTR3A P46098 2/20 1.00
HTR3E A5X5Y0 1/20 1.00
HTR3B O95264 1/20 1.00
HTR3D Q70Z44 1/20 1.00
HTR3C Q8WXA8 1/20 1.00
HTR1A P08908 1/20 0.51
ADRA2C P18825 1/20 0.51
ACHE P22303 1/20 0.51
PTGS1 P23219 1/20 0.51
ADRA1A P35348 1/20 0.51
KCNH2 Q12809 1/20 0.51
CHRNA7 P36544 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
SCHEMBL7399258 0.95 HTR4 (0.91) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7393687 0.85 HTR4 (0.74) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7436075 0.83 HTR4 (0.72) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2800097 0.82 HTR4 (0.69) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7362282 0.82 HTR4 (0.69) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7394319 0.82 HTR4 (0.69) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7359459 0.81 HTR4 (0.68) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7395407 0.81 HTR4 (0.67) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7434513 0.81 HTR4 (0.67) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7393297 0.80 HTR3E (0.67) HTR4HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442077-A Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-08-15 US claimed
EP-0640602-A1 Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-03-01 EP claimed
JP-7112985-A None JP disclosed
US-5442077-A Benzo[B]Furancarboxamide derivatives, process for the preparation of same and use thereof for improving hypermotility SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-08-15 US disclosed
JP-H07112985-A BENZO (B) FURANCARBOXAMIDE DERIVATIVE, ITS PRODUCTION AND USE THEREOF SANWA KAGAKU KENKYUSHO CO LTD 1995-05-02 JP disclosed
EP-0640602-A1 Benzo[b]furancarboxamide derivatives, process for their preparation and their use as gastrointestinal mobility-enhancing agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-03-01 EP disclosed