SCHEMBL8218178

SCHEMBL8218178

Nc1c(Cl)cc(C(=O)NC2CCNCC2C(O)C2CCCO2)c2c1CCO2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.45
HTR3A P46098 3/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2C P18825 1/20 0.44
ACHE P22303 1/20 0.44
PTGS1 P23219 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL9326430 0.89 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9092771 0.84 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9092779 0.84 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9092765 0.84 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9090458 0.79 HTR4 (0.61) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9090463 0.79 HTR4 (0.61) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL30094418 0.79 HTR4 (0.61) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9090453 0.79 HTR4 (0.61) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8214403 0.78 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8721073 0.77 HTR4 (0.62) 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
EP-0991410-A1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATES JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-12 EP disclosed
WO-1999002156-A1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed