SCHEMBL23838507

SCHEMBL23838507

COc1cc(N)c(C)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.84
ACHE P22303 2/20 0.54
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47

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
Da-6886 SCHEMBL726214 0.92 HTR4 (1.00) HTR4DRD2DRD4DRD3
Da-6886 SCHEMBL725324 0.91 HTR4 (0.98) HTR4DRD2DRD4DRD3
SCHEMBL724283 0.89 HTR4 (1.00) HTR4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL725813 0.88 HTR4 (0.98) HTR4DRD2DRD4DRD3
SCHEMBL725841 0.86 HTR4 (0.94) HTR4DRD2DRD4DRD3
SCHEMBL17787934 0.83 HTR4 (0.79) HTR4DRD2DRD4DRD3
SCHEMBL727020 0.80 HTR4 (1.00) HTR4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL725773 0.79 HTR4 (0.98) HTR4DRD2DRD4DRD3
SCHEMBL726606 0.77 HTR4 (1.00) HTR4DRD2DRD4DRD3
SCHEMBL725807 0.77 HTR4 (1.00) HTR4DRD2DRD4DRD3

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
EP-3026049-B1 METHOD FOR PREPARING BENZAMIDE DERIVATIVE, NOVEL INTERMEDIATE USED IN PREPARATION OF BENZAMIDE, AND METHOD FOR PREPARING NOVEL INTERMEDIATE DONG A ST CO LTD (KR) 2021-09-22 EP disclosed