SCHEMBL9727190

SCHEMBL9727190

COc1ccc(CN2CCC(NC(=O)c3occ4cccc(Cl)c34)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.62
SIGMAR1 Q99720 1/20 0.55
MCHR1 Q99705 6/20 0.54
CCR3 P51677 2/20 0.52
MAOB P27338 2/20 0.51
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PDK1 Q15118 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
SCHEMBL9727088 0.91 DRD4 (0.62) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9727095 0.87 DRD4 (0.72) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9727435 0.84 DRD4 (0.57) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9852057 0.82 DRD4 (0.67) DRD4SIGMAR1MCHR1CCR3
SCHEMBL9727235 0.81 DRD4 (0.58) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9727182 0.80 DRD4 (0.64) DRD4SIGMAR1MCHR1CCR3HSP90AA1
SCHEMBL9852087 0.80 DRD4 (0.61) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9852082 0.80 DRD4 (0.73) DRD4SIGMAR1MCHR1CCR3MAOB
Iodide SCHEMBL9852255 0.78 DRD4 (0.60) DRD4SIGMAR1MCHR1CCR3MAOB
SCHEMBL9727123 0.77 DRD4 (0.69) DRD4SIGMAR1MCHR1MAOB

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