SCHEMBL9852237

SCHEMBL9852237

COc1ccc(CN2CCC(NC(=O)c3occ4ccc([N+](=O)[O-])cc34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.57
MCHR1 Q99705 6/20 0.53
CCR3 P51677 1/20 0.53
MAOB P27338 2/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
ACHE P22303 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
SCHEMBL9727177 0.94 DRD4 (0.54) DRD4MCHR1CCR3MAOBKCNH2
SCHEMBL9852106 0.87 DRD4 (0.43) DRD4MCHR1CCR3MAOBKCNH2
SCHEMBL9852087 0.87 DRD4 (0.61) DRD4MCHR1CCR3MAOBKCNH2
SCHEMBL9852126 0.84 MCHR1 (0.60) DRD4MCHR1CCR3KCNH2SIGMAR1
SCHEMBL9727255 0.84 DRD4 (0.66) DRD4MAOBSIGMAR1ACHE
SCHEMBL9727095 0.84 DRD4 (0.72) DRD4MCHR1CCR3MAOBSIGMAR1
SCHEMBL9727235 0.82 DRD4 (0.58) DRD4MCHR1CCR3MAOBKCNH2
SCHEMBL9727169 0.82 MCHR1 (0.59) DRD4MCHR1CCR3KCNH2SIGMAR1
SCHEMBL9727435 0.78 DRD4 (0.57) DRD4MCHR1CCR3MAOBKCNH2
SCHEMBL9727088 0.77 DRD4 (0.62) DRD4MCHR1CCR3MAOBKCNH2

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