SCHEMBL7362282

SCHEMBL7362282

Nc1c(Cl)cc(C(=O)NCCN2CCCCC2)c2c1CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.69
HTR3A P46098 2/20 0.69
HTR3E A5X5Y0 1/20 0.69
HTR3B O95264 1/20 0.69
HTR3D Q70Z44 1/20 0.69
HTR3C Q8WXA8 1/20 0.69
HTR1A P08908 1/20 0.59
ADRA2C P18825 1/20 0.59
ACHE P22303 1/20 0.59
PTGS1 P23219 1/20 0.59
ADRA1A P35348 1/20 0.59
KCNH2 Q12809 1/20 0.59
HPGD P15428 1/20 0.46

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
Hydrochloric Acid SCHEMBL7359459 0.99 HTR4 (0.68) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7355049 0.98 HTR4 (0.67) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7361680 0.92 HTR4 (0.65) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7432070 0.88 HTR4 (0.64) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7430663 0.82 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7365194 0.81 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7355300 0.81 HTR4 (0.55) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7361117 0.80 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7365594 0.79 HTR4 (0.60) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14810412 0.79 HTR4 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO claimed
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed