SCHEMBL23567925

SCHEMBL23567925

CC(C)CN1CCC(CCNCI)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
PIK3CD O00329 2/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
SLC6A3 Q01959 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25469081 0.85 PRMT6 (0.40) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL23567930 0.81 CARM1 (0.42) CHRM4PIK3CDCYP2D6HRH3CARM1
SCHEMBL25691521 0.80 PIK3CD (0.43) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL22848538 0.79 CHRM4 (0.38) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL23945990 0.78 CHRM4 (0.37) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL25883845 0.77 CHRM4 (0.36) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL24673663 0.75 CHRM4 (0.36) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL23560007 0.75 SIGMAR1 (0.44) CHRM4PIK3CDHRH3CARM1PRMT6
SCHEMBL23695997 0.74 PIK3CD (0.44) CHRM4PIK3CDCYP2D6HRH3KDM4E
SCHEMBL13512410 0.74 PIK3CD (0.39) CHRM4PIK3CDCYP2D6HRH3SLC6A3

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
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed