SCHEMBL7296558

SCHEMBL7296558

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CC2COCC(C1)N2C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.60
DRD4 P21917 6/20 0.49
LRRK2 Q5S007 1/20 0.49
AGER Q15109 1/20 0.48

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
SCHEMBL9021909 0.92 HTR4 (0.72) HTR4DRD4
SCHEMBL9021444 0.90 HTR4 (0.66) HTR4DRD4
SCHEMBL11259042 0.89 HTR4 (0.51) HTR4DRD4
SCHEMBL11228357 0.87 HTR4 (0.49) HTR4DRD4
SCHEMBL11243059 0.86 HTR4 (0.51) HTR4DRD4LRRK2
SCHEMBL11236108 0.86 HTR4 (0.51) HTR4DRD4LRRK2
SCHEMBL11243730 0.85 DRD2 (0.54) DRD4
SCHEMBL11243700 0.85 DRD2 (0.63) DRD4
SCHEMBL11242259 0.85 DRD2 (0.54) DRD4
SCHEMBL11237343 0.85 DRD2 (0.63) DRD4

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-0377967-A2 9-Aza-3-(oxa/thia)-bicyclo[3,2,1]nonane derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-07-18 EP disclosed