SCHEMBL11214749

SCHEMBL11214749

CCN(Cc1ccccc1)N(CC)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 4/20 0.56
AOC3 Q16853 2/20 0.52
LMNA P02545 2/20 0.52
CNR2 P34972 1/20 0.52
TP53 P04637 1/20 0.50
MGLL Q99685 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45

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
Fluoride SCHEMBL8376221 0.90 TSHR (0.54) TSHRALDH1A1AOC3LMNACNR2
SCHEMBL5271843 0.88 TSHR (0.56) TSHRALDH1A1AOC3LMNACNR2
SCHEMBL3271148 0.83 TSHR (0.60) TSHRALDH1A1AOC3LMNATP53
SCHEMBL7882263 0.83 AOC3 (0.55) TSHRALDH1A1AOC3LMNACNR2
SCHEMBL375111 0.79 KDM4E (0.68) TSHRALDH1A1AOC3LMNACNR2
SCHEMBL81248 0.79 HRH3 (0.65) TSHRALDH1A1AOC3LMNACNR2
SCHEMBL28072533 0.78 CARM1 (0.50) TSHRALDH1A1AOC3KDM4ESLC6A2
SCHEMBL6806665 0.78 LMNA (0.47) TSHRALDH1A1AOC3LMNACNR2
Bromide SCHEMBL11663269 0.77 HRH3 (0.62) TSHRALDH1A1AOC3LMNACNR2
Iodide SCHEMBL21693881 0.77 HRH3 (0.62) TSHRALDH1A1AOC3LMNACNR2

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
US-4386053-A IMPREGNATION OF SUBSTRATE WITH ORGANIC PEROXIDE, CHROMOGEN, BUFFER AND STABILIZER TERUMO CORPORATION (JP) 1983-05-31 US disclosed