SCHEMBL8274637

SCHEMBL8274637

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCNCC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.83
ACHE P22303 4/20 0.72
DRD2 P14416 2/20 0.65
DRD4 P21917 2/20 0.65
DRD3 P35462 2/20 0.65

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
SCHEMBL725669 0.91 HTR4 (1.00) HTR4DRD2DRD4DRD3
SCHEMBL17709611 0.90 HTR4 (0.79) HTR4ACHEDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7035321 0.90 HTR4 (0.98) HTR4ACHEDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL726793 0.90 HTR4 (0.98) HTR4ACHEDRD2DRD4DRD3
SCHEMBL27886820 0.89 HTR4 (0.68) HTR4ACHEDRD2DRD4DRD3
SCHEMBL6583155 0.88 HTR4 (0.76) HTR4ACHE
SCHEMBL14827422 0.86 HTR4 (0.75) HTR4DRD2DRD4DRD3
SCHEMBL8234943 0.85 HTR4 (0.66) HTR4ACHEDRD2DRD4DRD3
SCHEMBL1501983 0.85 HTR4 (0.68) HTR4ACHEDRD2DRD4DRD3
SCHEMBL1501986 0.85 HTR4 (0.68) HTR4ACHEDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092882-A1 4-AMINO-5-HALOGENO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, CNS, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS PFIZER JAPAN, INC. (JP) 2005-10-06 WO disclosed