SCHEMBL9852232

SCHEMBL9852232

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
SIGMAR1 Q99720 5/20 0.60
MAOB P27338 1/20 0.56
DRD4 P21917 3/20 0.55
TMEM97 Q5BJF2 2/20 0.55
SLC6A12 P48065 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
MAPK1 P28482 1/20 0.54
ACHE P22303 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9852220 0.93 DRD4 (0.64) CHRNA7SIGMAR1MAOBDRD4TMEM97
SCHEMBL9727131 0.80 MAOB (0.74) MAOBDRD4SLC6A12SLC6A13ACHE
SCHEMBL9482226 0.80 SIGMAR1 (0.55) SIGMAR1MAOBDRD4SLC6A12SLC6A13
SCHEMBL9852247 0.80 SIGMAR1 (0.59) SIGMAR1MAOBDRD4TMEM97SLC6A12
SCHEMBL9727243 0.80 DRD4 (0.69) SIGMAR1MAOBDRD4MAPK1ACHE
SCHEMBL3598699 0.79 SIGMAR1 (0.66) SIGMAR1TMEM97SLC6A12MAPK1L3MBTL1
SCHEMBL4894227 0.76 MCHR1 (0.79) SIGMAR1DRD4TMEM97SLC6A12SLC6A13
SCHEMBL3604610 0.76 SLC6A12 (0.64) SIGMAR1DRD4TMEM97SLC6A12MAPK1
SCHEMBL9868364 0.76 SIGMAR1 (0.61) SIGMAR1DRD4TMEM97SLC6A12MAPK1
SCHEMBL2978252 0.75 SIGMAR1 (0.63) SIGMAR1TMEM97SLC6A12L3MBTL1

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