SCHEMBL9727177

SCHEMBL9727177

COc1ccc(CN2CCC(NC(=O)c3occ4cc([N+](=O)[O-])ccc34)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.54
MCHR1 Q99705 5/20 0.53
KCNH2 Q12809 1/20 0.53
MAOB P27338 2/20 0.51
CCR3 P51677 1/20 0.50
ACHE P22303 2/20 0.49
SIGMAR1 Q99720 4/20 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
SCHEMBL9852237 0.94 DRD4 (0.57) DRD4MCHR1KCNH2MAOBCCR3
SCHEMBL9727235 0.87 DRD4 (0.58) DRD4MCHR1KCNH2MAOBCCR3
SCHEMBL9727255 0.85 DRD4 (0.66) DRD4MAOBACHESIGMAR1
SCHEMBL9727095 0.85 DRD4 (0.72) DRD4MCHR1MAOBCCR3ACHE
SCHEMBL9727169 0.84 MCHR1 (0.59) DRD4MCHR1KCNH2CCR3ACHE
SCHEMBL9852126 0.83 MCHR1 (0.60) DRD4MCHR1KCNH2CCR3ACHE
SCHEMBL9852087 0.82 DRD4 (0.61) DRD4MCHR1KCNH2MAOBCCR3
SCHEMBL9852106 0.81 DRD4 (0.43) DRD4MCHR1KCNH2MAOBCCR3
SCHEMBL9852082 0.78 DRD4 (0.73) DRD4MCHR1KCNH2MAOBCCR3
Iodide SCHEMBL9852255 0.77 DRD4 (0.60) DRD4MCHR1KCNH2MAOBCCR3

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