SCHEMBL9727078

SCHEMBL9727078

COc1ccc(CN2CCCC(NC(=O)c3occ4ccccc34)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.57
MCHR1 Q99705 9/20 0.54
DRD2 P14416 3/20 0.52
ROCK2 O75116 1/20 0.51
DRD3 P35462 2/20 0.50
SIGMAR1 Q99720 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
SCHEMBL9727095 0.89 DRD4 (0.72) DRD4MCHR1SIGMAR1
SCHEMBL9727072 0.81 UTS2R (0.68) DRD4MCHR1DRD2DRD3
Iodide SCHEMBL9852255 0.80 DRD4 (0.60) DRD4MCHR1SIGMAR1
SCHEMBL9852082 0.80 DRD4 (0.73) DRD4MCHR1SIGMAR1
SCHEMBL9727149 0.79 DRD4 (0.58) DRD4MCHR1SIGMAR1
SCHEMBL9727135 0.78 DRD4 (0.67) DRD4MCHR1SIGMAR1
SCHEMBL9727235 0.78 DRD4 (0.58) DRD4MCHR1SIGMAR1
Dimethylamine SCHEMBL9852061 0.77 DRD4 (0.63) DRD4MCHR1SIGMAR1
SCHEMBL9727173 0.77 SIGMAR1 (0.57) DRD4MCHR1SIGMAR1
SCHEMBL9727123 0.77 DRD4 (0.69) DRD4MCHR1SIGMAR1

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-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed