SCHEMBL1729282

SCHEMBL1729282

N#Cc1ccc(-c2ccc(N3CCN(C(N)CN(CC=O)C(=O)O)CC3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.40
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
EP300 Q09472 1/20 0.37
CACNA1H O95180 1/20 0.37
RET P07949 1/20 0.37
SLC6A7 Q99884 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
AOC3 Q16853 1/20 0.36
SMO Q99835 2/20 0.36
CHRM4 P08173 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
SCHEMBL1730240 0.90 SLC6A7 (0.41) PANK3DGAT1KCNH2RETSLC6A7
SCHEMBL1729151 0.88 MGLL (0.42) PANK3DGAT1KCNH2EGLN1AOC3
SCHEMBL1729088 0.86 PANK3 (0.39) PANK3DGAT1KCNH2EP300CACNA1H
SCHEMBL1727900 0.85 EGLN1 (0.41) CACNA1HSLC6A7EGLN1AOC3
SCHEMBL1729020 0.84 SCN10A (0.38) PANK3CACNA1HRETCHRM4
SCHEMBL1728857 0.84 CNR1 (0.42) SLC6A7AOC3
SCHEMBL1727881 0.82 CNR2 (0.48) DGAT1KCNH2RETSLC6A7EGLN1
SCHEMBL1728823 0.78 SLC6A7 (0.44) DGAT1SLC6A7AOC3
SCHEMBL1728917 0.78 SLC6A7 (0.40) PANK3DGAT1KCNH2RETSLC6A7
SCHEMBL1729847 0.77 CNR1 (0.43) SLC6A7SMO

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