SCHEMBL9727182

SCHEMBL9727182

COc1ccc(CN2CCC(NC(=O)c3cc4cccc(Cl)c4o3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.64
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MCHR1 Q99705 6/20 0.58
KCNH2 Q12809 1/20 0.58
HSP90AA1 P07900 2/20 0.57
HSP90AB1 P08238 2/20 0.57
PDK1 Q15118 2/20 0.57
ACHE P22303 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
CCR3 P51677 1/20 0.55

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
SCHEMBL9727082 0.91 DRD4 (0.64) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9727091 0.85 DRD4 (0.70) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9727416 0.84 DRD4 (0.60) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9852057 0.83 DRD4 (0.67) DRD4ALDH1A1MCHR1SIGMAR1CCR3
SCHEMBL9727231 0.82 MCHR1 (0.64) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9852064 0.82 MCHR1 (0.66) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9727190 0.80 DRD4 (0.62) DRD4MCHR1HSP90AA1HSP90AB1PDK1
SCHEMBL9852062 0.78 DRD4 (0.71) DRD4KDM4EALDH1A1HPGDHSD17B10
Iodide SCHEMBL9852252 0.77 DRD4 (0.59) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9852126 0.77 MCHR1 (0.60) DRD4KDM4EALDH1A1HPGDHSD17B10

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