SCHEMBL9727072

SCHEMBL9727072

COc1ccc(CN2CCCC(NC(=O)c3cc4ccccc4o3)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.68
RAB9A P51151 1/20 0.57
MCHR1 Q99705 7/20 0.56
DRD4 P21917 3/20 0.55
DRD2 P14416 2/20 0.55
ACHE P22303 2/20 0.54
DRD3 P35462 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL9727091 0.89 DRD4 (0.70) UTS2RRAB9AMCHR1DRD4DRD2
SCHEMBL9727078 0.81 DRD4 (0.57) MCHR1DRD4DRD2DRD3
Iodide SCHEMBL9852252 0.80 DRD4 (0.59) UTS2RMCHR1DRD4DRD2ACHE
SCHEMBL9852062 0.79 DRD4 (0.71) UTS2RMCHR1DRD4DRD2ACHE
SCHEMBL9852064 0.79 MCHR1 (0.66) UTS2RMCHR1DRD4ACHE
SCHEMBL9727136 0.78 DRD4 (0.67) RAB9ADRD4ACHE
SCHEMBL9727140 0.78 UTS2R (0.73) UTS2RRAB9AMCHR1DRD4ACHE
SCHEMBL9727231 0.77 MCHR1 (0.64) MCHR1DRD4ACHE
SCHEMBL9852060 0.77 ACHE (0.60) UTS2RRAB9AMCHR1DRD4ACHE
SCHEMBL9727131 0.77 MAOB (0.74) UTS2RRAB9AMCHR1DRD4ACHE

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