SCHEMBL9469015

SCHEMBL9469015

O=[N+]([O-])c1ccccc1OC1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCD O00767 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRNA7 P36544 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
Hydrochloric Acid SCHEMBL9469662 0.99 MEN1 (0.46) MEN1KMT2ASCDALDH1A1TDP1
SCHEMBL9469401 0.75 CHRM2 (0.45) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL9469146 0.75 CHRM2 (0.45) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL9469096 0.75 CHRM2 (0.45) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL9469131 0.75 CHRNA7 (0.48) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL9469630 0.75 CHRM2 (0.45) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL9469800 0.75 CHRM2 (0.45) CHRNA7BCHEACHECHRM2CHRM1
SCHEMBL5649311 0.74 LSS (0.54) MEN1KMT2AALDH1A1CHRNA7RECQL
SCHEMBL1018506 0.74 CHRNA7 (0.40) MEN1KMT2ASCDCHRNA7BCHE
SCHEMBL11044936 0.74 SCD (0.58) MEN1KMT2ASCDALDH1A1TDP1

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-5258392-A 3-quinuclidine derivatives AKZO N.V. (NL) 1993-11-02 US disclosed
EP-0497415-A1 3-Quinuclidine derivatives Akzo Nobel N.V. (NL) 1992-08-05 EP disclosed