SCHEMBL8300283

SCHEMBL8300283

N#CCCC(Cc1ccc(Cl)c(Cl)c1)C(=O)OCCCOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 4/20 0.37
KCNA5 P22460 1/20 0.35
SCN5A Q14524 1/20 0.35
DPP4 P27487 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 1/20 0.34
REN P00797 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CHEK1 O14757 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL8593268 0.80 SLC6A3 (0.38) MEN1KMT2ASLC6A3SIGMAR1CYP1A2
SCHEMBL8590301 0.79 SLC6A3 (0.37) MEN1KMT2ASLC6A3SIGMAR1CYP1A2
SCHEMBL8290867 0.79 MEN1 (0.39) MEN1KMT2ASLC6A3KCNA5SCN5A
SCHEMBL8556420 0.78 MEN1 (0.41) MEN1KMT2ASLC6A3KCNA5SCN5A
SCHEMBL8592295 0.75 MEN1 (0.38) MEN1KMT2ASLC6A3SIGMAR1CYP1A2
SCHEMBL8703966 0.73 MEN1 (0.43) MEN1KMT2ASLC6A3KCNA5SCN5A
SCHEMBL4631262 0.72 SLC6A3 (0.43) MEN1KMT2ASLC6A3KCNA5SCN5A
SCHEMBL7847786 0.71 MEN1 (0.42) MEN1KMT2ASLC6A3KCNA5SCN5A
SCHEMBL5858037 0.70 MEN1 (0.45) MEN1KMT2ACHEK1MAPT
SCHEMBL13316560 0.70 MEN1 (0.45) MEN1KMT2ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed