SCHEMBL9852245

SCHEMBL9852245

COc1ccc(CN2CCC(NC(=O)c3occ4ccccc34)CC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.55
SSTR5 P35346 2/20 0.52
MAOB P27338 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
MCHR1 Q99705 5/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 1/20 0.49

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 0.87 DRD4 (0.72) DRD4MAOBSIGMAR1MCHR1ALDH1A1
SCHEMBL9852082 0.85 DRD4 (0.73) DRD4MAOBSIGMAR1MCHR1ACHE
SCHEMBL9852060 0.81 ACHE (0.60) DRD4SIGMAR1MCHR1POLBALDH1A1
Iodide SCHEMBL9852255 0.79 DRD4 (0.60) DRD4MAOBSIGMAR1MCHR1ACHE
SCHEMBL9727135 0.79 DRD4 (0.67) DRD4MAOBSIGMAR1MCHR1
SCHEMBL9727235 0.78 DRD4 (0.58) DRD4MAOBSIGMAR1MCHR1ACHE
SCHEMBL9727088 0.78 DRD4 (0.62) DRD4MAOBSIGMAR1MCHR1
Dimethylamine SCHEMBL9852061 0.78 DRD4 (0.63) DRD4MAOBSIGMAR1MCHR1POLB
SCHEMBL9727149 0.78 DRD4 (0.58) DRD4MAOBSIGMAR1MCHR1ALDH1A1
SCHEMBL9852087 0.77 DRD4 (0.61) DRD4MAOBSIGMAR1MCHR1ACHE

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-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed