SCHEMBL8054528

SCHEMBL8054528

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1(CN2CCC(C)CC2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.53
DRD3 P35462 3/20 0.53
DRD2 P14416 2/20 0.53
AGER Q15109 1/20 0.43
ABCC8 Q09428 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 0.92 DRD4 (0.54) DRD4DRD3DRD2
SCHEMBL8039975 0.92 DRD4 (0.50) DRD4DRD3DRD2AGERABCC8
SCHEMBL8040073 0.91 DRD4 (0.53) DRD4DRD3DRD2
SCHEMBL8058060 0.86 HTR4 (0.58) DRD4DRD3DRD2
SCHEMBL8040144 0.78 HTR4 (0.57)
SCHEMBL8054707 0.78 HTR4 (0.53) DRD2
SCHEMBL8055027 0.77 HTR4 (0.64)
SCHEMBL8040220 0.77 HTR4 (0.58)
SCHEMBL8040211 0.77 CNR2 (0.47) DRD2
SCHEMBL11549582 0.75 DRD4 (0.75) DRD4DRD3DRD2

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