SCHEMBL9852087

SCHEMBL9852087

COc1ccc(CN2CCC(NC(=O)c3occ4ccc(N)cc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.61
MCHR1 Q99705 8/20 0.57
CCR3 P51677 2/20 0.57
KCNH2 Q12809 1/20 0.56
MAOB P27338 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
ACHE P22303 1/20 0.53
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 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) DRD4MCHR1CCR3MAOBSIGMAR1
SCHEMBL9852237 0.87 DRD4 (0.57) DRD4MCHR1CCR3KCNH2MAOB
SCHEMBL9727235 0.86 DRD4 (0.58) DRD4MCHR1CCR3KCNH2MAOB
SCHEMBL9852064 0.83 MCHR1 (0.66) DRD4MCHR1CCR3KCNH2SIGMAR1
SCHEMBL9727177 0.82 DRD4 (0.54) DRD4MCHR1CCR3KCNH2MAOB
SCHEMBL9727435 0.81 DRD4 (0.57) DRD4MCHR1CCR3KCNH2MAOB
SCHEMBL9727190 0.80 DRD4 (0.62) DRD4MCHR1CCR3MAOBSIGMAR1
SCHEMBL9852082 0.80 DRD4 (0.73) DRD4MCHR1CCR3KCNH2MAOB
SCHEMBL9727088 0.80 DRD4 (0.62) DRD4MCHR1CCR3KCNH2MAOB
Iodide SCHEMBL9852255 0.79 DRD4 (0.60) DRD4MCHR1CCR3KCNH2MAOB

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