SCHEMBL9852220

SCHEMBL9852220

O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.64
CHRNA7 P36544 1/20 0.58
SIGMAR1 Q99720 5/20 0.56
MCHR1 Q99705 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TMEM97 Q5BJF2 2/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL9852232 0.93 CHRNA7 (0.60) DRD4CHRNA7SIGMAR1ACHEMAPK1
SCHEMBL9727243 0.86 DRD4 (0.69) DRD4SIGMAR1MCHR1BCHEACHE
SCHEMBL9852241 0.81 DRD4 (0.60) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9852126 0.76 MCHR1 (0.60) DRD4SIGMAR1MCHR1ACHE
SCHEMBL9727169 0.76 MCHR1 (0.59) DRD4SIGMAR1MCHR1ACHE
SCHEMBL9727255 0.76 DRD4 (0.66) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL20303658 0.75 SIGMAR1 (0.76) DRD4SIGMAR1BCHEACHEBACE1
SCHEMBL9727182 0.75 DRD4 (0.64) DRD4SIGMAR1MCHR1ACHEHSP90AA1
SCHEMBL9727082 0.75 DRD4 (0.64) DRD4CHRNA7SIGMAR1MCHR1ACHE
SCHEMBL2889548 0.74 CHRNA7 (1.00) CHRNA7

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