SCHEMBL22856492

SCHEMBL22856492

CCN(C)CCc1ccc(CCNC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
SIGMAR1 Q99720 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
ATM Q13315 2/20 0.50
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL26456365 0.85 SIGMAR1 (0.42) TAAR1SIGMAR1MAPTKDM4EHRH3
SCHEMBL22794502 0.85 TAAR1 (0.52) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL26369891 0.83 AOC3 (0.48) SIGMAR1MAPTCYP1A2TSHRNFKB1
SCHEMBL22856070 0.83 HRH3 (0.39) TAAR1SIGMAR1CYP1A2HRH3
SCHEMBL23560444 0.80 TAAR1 (0.47) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL22856373 0.80 SIGMAR1 (0.39) SIGMAR1TMEM97HIF1ALMNASMN1; SMN2
SCHEMBL25883722 0.80 HRH3 (0.37) TAAR1SIGMAR1CYP1A2SMN1; SMN2HRH3
SCHEMBL23560371 0.80 HRH3 (0.37) TAAR1SIGMAR1CYP1A2HRH3
SCHEMBL26408085 0.80 TAAR1 (0.43) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL26456364 0.79 HRH3 (0.64) TAAR1SIGMAR1MAPTTP53CYP1A2

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed