SCHEMBL8214403

SCHEMBL8214403

COC(C1CCCO1)C1CNCCC1CNC(=O)c1cc(Cl)c(N)c2c1OCC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.47
HTR3A P46098 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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 0.88 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL506025 0.80 HTR4 (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL506026 0.80 HTR4 (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL506027 0.80 HTR4 (0.49) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8228993 0.78 HTR4 (0.42) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8218178 0.78 HTR4 (0.45) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL1502304 0.77 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL19888413 0.73 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL6670826 0.73 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL9485148 0.73 HTR4 (0.54) 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