SCHEMBL11243059

SCHEMBL11243059

CCCCCCCN1C2COCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.51
DRD4 P21917 3/20 0.44
DRD2 P14416 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL11236108 1.00 HTR4 (0.51) HTR4DRD4DRD2LRRK2
SCHEMBL11228357 0.89 HTR4 (0.49) HTR4DRD4DRD2
SCHEMBL11259042 0.87 HTR4 (0.51) HTR4DRD4DRD2
SCHEMBL11235249 0.87 HTR4 (0.68) HTR4DRD2
SCHEMBL7296558 0.86 HTR4 (0.60) HTR4DRD4LRRK2
SCHEMBL11243730 0.83 DRD2 (0.54) DRD4DRD2
SCHEMBL11243700 0.83 DRD2 (0.63) DRD4DRD2
SCHEMBL11237343 0.83 DRD2 (0.63) DRD4DRD2
SCHEMBL11242259 0.83 DRD2 (0.54) DRD4DRD2
SCHEMBL9021726 0.83 DRD2 (0.52) HTR4DRD4DRD2

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
US-4352802-A DESALINATION OF SEA WATER BEECHAM GROUP LIMITED (GB) 1982-10-05 US disclosed