SCHEMBL1728061

SCHEMBL1728061

CNC(CN(CC=O)C(=O)O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MCHR1 Q99705 2/20 0.37
RET P07949 1/20 0.36
CHRM4 P08173 3/20 0.36
ACACB O00763 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL1729048 0.91 EGLN1 (0.41) CACNA1HPPARAACACBNPC1RAB9A
SCHEMBL1729206 0.91 SLC6A7 (0.42)
SCHEMBL1729020 0.87 SCN10A (0.38) CACNA1GCACNA1HCACNA1IPPARDPPARG
SCHEMBL1728999 0.87 MGLL (0.41) NPC1RAB9AKMT2APANK3
SCHEMBL1729333 0.85 SUCNR1 (0.40) MCHR1BCHEACHEBACE1TEK
SCHEMBL1729088 0.84 PANK3 (0.39) CACNA1HPPARGRETSMOPANK3
SCHEMBL1730220 0.84 EGLN1 (0.45) RETACACBNPC1RAB9AKMT2A
SCHEMBL1727900 0.80 EGLN1 (0.41) CACNA1HPPARAACACBNPC1RAB9A
SCHEMBL1728917 0.79 SLC6A7 (0.40) PPARGRETSMOPANK3
SCHEMBL1727878 0.79 PDE4A (0.39) MAPT

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