SCHEMBL9766465

SCHEMBL9766465

COc1cc(N)c(Cl)cc1C(=O)NC(C)NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.61
GAA P10253 1/20 0.56
HTR3A P46098 3/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR5A P47898 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL8247499 0.84 GAA (0.68) HTR4GAAHTR3AHTR3EHTR3B
SCHEMBL15650737 0.83 HTR4 (0.83) HTR4HTR3ACYP2D6CYP2C9
SCHEMBL10353676 0.78 GAA (0.58) HTR4GAAHTR3AHTR3EHTR3B
SCHEMBL9766461 0.77 HTR4 (0.65) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL10827995 0.76 HTR4 (0.67) HTR4HTR3A
SCHEMBL10486813 0.76 HTR4 (0.72) HTR4HTR3ACYP2D6CYP2C9
SCHEMBL5319039 0.76 HTR4 (0.67) HTR4HTR3ACYP2D6CYP2C9
SCHEMBL7751850 0.76 GAA (0.71) HTR4GAAHTR3AHTR3EHTR3B
SCHEMBL14817685 0.76 GAA (0.71) HTR4GAAHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7301561 0.76 GAA (0.56) HTR4GAAHTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2022257-A None JP disclosed
US-5010108-A Treatment of gastrointestinal disorders POLI INDUSTRIA CHIMICA S.P.A. (IT) 1991-04-23 US disclosed
JP-H0222257-A N-CYCLOALKYLAMINOETHYLBENZAMIDE DERIVATIVE, ITS PRODUCTION AND PHARMACEUTICAL USE POLI IND CHIM SPA 1990-01-25 JP disclosed
EP-0333073-A2 N-cycloalkylaminoethylbenzamide derivatives, their synthesis and pharmaceutical preparations POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-09-20 EP disclosed