SCHEMBL9727435

SCHEMBL9727435

COc1ccc(CN2CCC(NC(=O)c3occ4ccc(OC)c(OC)c34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.57
MCHR1 Q99705 8/20 0.54
DRD3 P35462 2/20 0.54
SLC6A12 P48065 1/20 0.53
CCR3 P51677 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
MAOB P27338 2/20 0.48
KCNH2 Q12809 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
SCHEMBL9727088 0.88 DRD4 (0.62) DRD4MCHR1DRD3SLC6A12CCR3
SCHEMBL9727190 0.84 DRD4 (0.62) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9727095 0.82 DRD4 (0.72) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9852087 0.81 DRD4 (0.61) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9727416 0.81 DRD4 (0.60) DRD4MCHR1DRD3SLC6A12CCR3
SCHEMBL9727235 0.79 DRD4 (0.58) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9852237 0.78 DRD4 (0.57) DRD4MCHR1CCR3SIGMAR1MAOB
Iodide SCHEMBL9852255 0.76 DRD4 (0.60) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9727177 0.76 DRD4 (0.54) DRD4MCHR1CCR3SIGMAR1MAOB
SCHEMBL9852245 0.74 DRD4 (0.55) DRD4MCHR1SIGMAR1MAOB

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