SCHEMBL1729088

SCHEMBL1729088

CNC(CN(CC=O)C(=O)O)N1CCN(c2ccc(-c3ccc(C#N)cc3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 9/20 0.39
SMO Q99835 1/20 0.39
EP300 Q09472 1/20 0.38
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CACNA1H O95180 1/20 0.36
CETP P11597 1/20 0.36
RET P07949 1/20 0.36
PPARG P37231 1/20 0.35
PARP1 P09874 1/20 0.35
SLC6A7 Q99884 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL1728917 0.91 SLC6A7 (0.40) PANK3SMODGAT1KCNH2EGLN1
SCHEMBL1728999 0.88 MGLL (0.41) PANK3DGAT1KCNH2EGLN1
SCHEMBL1729048 0.88 EGLN1 (0.41) EGLN1CACNA1HSLC6A7
SCHEMBL1729282 0.86 PANK3 (0.40) PANK3SMOEP300DGAT1KCNH2
SCHEMBL1727868 0.84 CNR1 (0.43) SLC6A7
SCHEMBL1728061 0.84 CACNA1G (0.38) PANK3SMOCACNA1HRETPPARG
SCHEMBL1730220 0.82 EGLN1 (0.45) EGLN1RET
SCHEMBL1729206 0.80 SLC6A7 (0.42) EGLN1SLC6A7
SCHEMBL1728846 0.78 CNR1 (0.43) SLC6A7USP30
SCHEMBL1730240 0.78 SLC6A7 (0.41) PANK3DGAT1KCNH2EGLN1RET

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