SCHEMBL28622239

SCHEMBL28622239

Nc1c(Cl)cc(CO)c2c1CCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.41
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL26668984 0.75 SLC5A2 (0.33)
SCHEMBL8004673 0.75 HTR4 (0.40) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8686728 0.75 HTR4 (0.40) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8509459 0.74 HTR4 (0.52) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5042500 0.73 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL1502018 0.73 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL14810412 0.73 HTR4 (0.59) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL28922401 0.73 ACVRL1 (0.36) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5035685 0.72 HTR4 (0.41) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL28520659 0.71 HTR4 (0.39) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232544-B Preparation method of prucalopride 江苏工程职业技术学院 2021-09-14 CN claimed
CN-114539133-B Method for preparing prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2024-09-20 CN disclosed
CN-117050003-A Preparation method of 1- (3-methoxypropyl) -4-piperidinamine 山东新时代药业有限公司 2023-11-14 CN disclosed
CN-115703733-A Preparation method of prucalopride intermediate 山东新时代药业有限公司 2023-02-17 CN disclosed
CN-115197123-A Preparation method of prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 山东新时代药业有限公司 2022-10-18 CN disclosed
CN-114591278-A Preparation method of 4-acetamido-5-chloro-2, 3-dihydrobenzofuran-7-carboxylic acid methyl ester 鲁南制药集团股份有限公司 2022-06-07 CN disclosed
CN-114591220-A Preparation method of prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2022-06-07 CN disclosed
CN-114539134-A Synthetic method of prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2022-05-27 CN disclosed
CN-114539133-A Method for preparing prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2022-05-27 CN disclosed
CN-109232544-B Preparation method of prucalopride 江苏工程职业技术学院 2021-09-14 CN disclosed