SCHEMBL9852247

SCHEMBL9852247

O=C(NC1CCN(Cc2ccccc2)CC1)c1occ2cccc([N+](=O)[O-])c12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
DRD4 P21917 3/20 0.54
MAPK1 P28482 1/20 0.53
TMEM97 Q5BJF2 2/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.50
MAOB P27338 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
SCHEMBL9852241 0.93 DRD4 (0.60) SIGMAR1DRD4MAPK1TMEM97
SCHEMBL9727135 0.81 DRD4 (0.67) SIGMAR1DRD4MAPK1TMEM97SLC6A12
SCHEMBL9482240 0.80 DRD4 (0.53) SIGMAR1DRD4MAPK1TMEM97SLC6A12
SCHEMBL9727255 0.80 DRD4 (0.66) SIGMAR1DRD4TMEM97MAOB
SCHEMBL9852232 0.80 CHRNA7 (0.60) SIGMAR1DRD4MAPK1TMEM97SLC6A12
Dimethylamine SCHEMBL9852061 0.78 DRD4 (0.63) SIGMAR1DRD4SLC6A12SLC6A13MAOB
SCHEMBL3598699 0.78 SIGMAR1 (0.66) SIGMAR1MAPK1TMEM97SLC6A12L3MBTL1
SCHEMBL3604610 0.75 SLC6A12 (0.64) SIGMAR1DRD4MAPK1TMEM97SLC6A12
SCHEMBL9727088 0.75 DRD4 (0.62) SIGMAR1DRD4SLC6A12MAOB
SCHEMBL9727190 0.75 DRD4 (0.62) SIGMAR1DRD4MAOB

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