SCHEMBL1727900

SCHEMBL1727900

COc1ccc(-c2ccc(N3CCN(C(N)CN(CC=O)C(=O)O)CC3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HDAC2 Q92769 2/20 0.38
PPARA Q07869 1/20 0.38
CACNA1H O95180 1/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A7 Q99884 1/20 0.37
ERN1 O75460 1/20 0.36
ACACB O00763 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1729020 0.89 SCN10A (0.38) HRH3PPARACACNA1HDRD4DRD3
SCHEMBL1729048 0.88 EGLN1 (0.41) EGLN1ME2ME1ME3KMT2A
SCHEMBL1729151 0.88 MGLL (0.42) EGLN1ME2ME1ME3RAB9A
SCHEMBL1729282 0.85 PANK3 (0.40) EGLN1CACNA1HSLC6A7AOC3
SCHEMBL1729810 0.84 CNR1 (0.42) HDAC2HSD17B10L3MBTL1HPGDNPSR1
SCHEMBL1728823 0.82 SLC6A7 (0.44) SLC6A7AOC3
SCHEMBL1727881 0.82 CNR2 (0.48) EGLN1KMT2ASLC6A7AOC3DRD2
SCHEMBL1730240 0.80 SLC6A7 (0.41) EGLN1SLC6A7AOC3
SCHEMBL1728061 0.80 CACNA1G (0.38) KMT2AHRH3PPARACACNA1HACACB
SCHEMBL1730220 0.79 EGLN1 (0.45) EGLN1KMT2AHSD17B10ERN1ACACB

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