SCHEMBL9852241

SCHEMBL9852241

O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1occ2cccc([N+](=O)[O-])c12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.60
SIGMAR1 Q99720 5/20 0.56
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
TMEM97 Q5BJF2 1/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
PRKAA2 P54646 1/20 0.46

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
SCHEMBL9852247 0.93 SIGMAR1 (0.59) DRD4SIGMAR1TMEM97MAPK1
SCHEMBL9727255 0.86 DRD4 (0.66) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9852220 0.81 DRD4 (0.64) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9852237 0.76 DRD4 (0.57) DRD4SIGMAR1ACHE
SCHEMBL9727243 0.76 DRD4 (0.69) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9727177 0.76 DRD4 (0.54) DRD4SIGMAR1ACHE
SCHEMBL9727088 0.75 DRD4 (0.62) DRD4SIGMAR1
SCHEMBL9727190 0.75 DRD4 (0.62) DRD4SIGMAR1
SCHEMBL20303658 0.74 SIGMAR1 (0.76) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9481804 0.74 MCHR1 (0.47) DRD4SIGMAR1RAB9APRKAA2

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