SCHEMBL8040073

SCHEMBL8040073

CCCC1CCN(CC2(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.53
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
HTR4 Q13639 1/20 0.43

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
SCHEMBL8051372 0.93 DRD4 (0.54) DRD4DRD2DRD3
SCHEMBL8054528 0.91 DRD4 (0.53) DRD4DRD2DRD3
SCHEMBL8039975 0.89 DRD4 (0.50) DRD4DRD2DRD3HTR4
SCHEMBL8040220 0.87 HTR4 (0.58) HTR4
SCHEMBL8040144 0.80 HTR4 (0.57) HTR4
SCHEMBL8058060 0.77 HTR4 (0.58) DRD4DRD2DRD3HTR4
SCHEMBL8055027 0.75 HTR4 (0.64) HTR4
SCHEMBL11549582 0.73 DRD4 (0.75) DRD4DRD2DRD3HTR4
SCHEMBL10733513 0.73 DRD4 (0.47) DRD4DRD2DRD3
SCHEMBL10746292 0.73 DRD4 (0.48) DRD4DRD2DRD3

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-0998469-A1 BENZAMIDE CYCLOALKYL STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY Laboratoires Jacques Logeais (FR) 2000-05-10 EP disclosed
WO-1999005133-A1 BENZAMIDE CYCLOALKYL STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY LABORATOIRES JACQUES LOGEAIS (FR) 1999-02-04 WO disclosed