SCHEMBL28112684

SCHEMBL28112684

NCC(=O)OC1CCCCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL29068676 0.81 CHRM2 (0.41) FDPSSLC6A3CYP2D6MEN1LMNA
SCHEMBL27505359 0.79 CHRM2 (0.42) FDPSSLC6A3SLC6A2SLC6A4CHRM2
SCHEMBL3770125 0.79 CHRM2 (0.42) FDPSSLC6A3SLC6A2SLC6A4CHRM2
SCHEMBL9998551 0.79 EPHX1 (0.34) FDPSSLC6A3CYP2D6MEN1LMNA
SCHEMBL9998422 0.78 EPHX1 (0.36) FDPSSLC6A3CYP2D6MEN1LMNA
SCHEMBL21462085 0.78 NAAA (0.50) FDPSSMN1; SMN2NAAA
SCHEMBL28814215 0.78 NAAA (0.35) FDPSSLC6A3CYP2D6MEN1LMNA
Ammonia Solution, Strong SCHEMBL16191692 0.76 EPHX1 (0.35) FDPSSLC6A3CYP2D6MEN1LMNA
SCHEMBL2557251 0.76 MEN1 (0.38) FDPSSLC6A3CYP2D6MEN1LMNA
SCHEMBL7261174 0.76 FDPS (0.35) FDPSSLC6A3CYP2D6MEN1KMT2A

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
CN-106277117-A The ammonium chloride waste-water independent low temperature double-effect evaporation method and apparatus of double adverse current 闫三朋 2017-01-04 CN disclosed