SCHEMBL8913176

SCHEMBL8913176

N#CC1CC2COCC(C1)N2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LTA4H P09960 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
Potassium Ion SCHEMBL30028929 0.88 CHRM2 (0.39) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL25079048 0.87 CHRM2 (0.59) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL4521492 0.86 CHRM2 (0.53) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL5351903 0.86 CHRM2 (0.53) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL6618554 0.83 LMNA (0.50) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL6618555 0.83 LMNA (0.50) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL636999 0.82 CHRM2 (0.58) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL22777402 0.80 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL15421001 0.80 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KMT2A
SCHEMBL10120550 0.80 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022175402-A1 QUINUCLIDINE-3-ONE DERIVATIVES APREA THERAPEUTICS AB (SE) 2022-08-25 WO disclosed
WO-2010075273-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-07-01 WO disclosed
US-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 US disclosed
EP-0540526-B1 QUINUCLIDINE DERIVATIVES PFIZER (US) 1994-12-28 EP disclosed
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed