SCHEMBL1730240

SCHEMBL1730240

N#Cc1cccc(-c2ccc(N3CCN(C(N)CN(CC=O)C(=O)O)CC3)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.41
AOC3 Q16853 3/20 0.40
MET P08581 1/20 0.39
USP30 Q70CQ3 1/20 0.39
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
MLNR O43193 1/20 0.38
PDE4D Q08499 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
MGLL Q99685 2/20 0.37
RET P07949 1/20 0.37
CYP11B2 P19099 1/20 0.36
BCL2A1 Q16548 1/20 0.36
PANK3 Q9H999 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL1729282 0.90 PANK3 (0.40) SLC6A7AOC3DGAT1KCNH2RET
SCHEMBL1728917 0.88 SLC6A7 (0.40) SLC6A7AOC3METUSP30DGAT1
SCHEMBL1727881 0.87 CNR2 (0.48) SLC6A7AOC3DGAT1KCNH2MGLL
SCHEMBL1729847 0.85 CNR1 (0.43) SLC6A7USP30PDE4DPDE4APDE4B
SCHEMBL1728823 0.83 SLC6A7 (0.44) SLC6A7AOC3DGAT1PDE4DPDE4A
SCHEMBL1729151 0.82 MGLL (0.42) AOC3DGAT1KCNH2MGLLPANK3
SCHEMBL1728857 0.80 CNR1 (0.42) SLC6A7AOC3
SCHEMBL1727900 0.80 EGLN1 (0.41) SLC6A7AOC3EGLN1
SCHEMBL1729020 0.78 SCN10A (0.38) MGLLRETPANK3
SCHEMBL1729088 0.78 PANK3 (0.39) SLC6A7USP30DGAT1KCNH2RET

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed