SCHEMBL1729020

SCHEMBL1729020

NC(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
SCN10A Q9Y5Y9 1/20 0.38
PANK3 Q9H999 2/20 0.38
RET P07949 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CHRM4 P08173 2/20 0.37
MCHR1 Q99705 1/20 0.37
SERPINE1 P05121 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 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
SCHEMBL1728823 0.91 SLC6A7 (0.44) MGLL
SCHEMBL1727900 0.89 EGLN1 (0.41) CACNA1HPPARADRD4DRD3HRH3
SCHEMBL1728061 0.87 CACNA1G (0.38) PANK3RETCACNA1GCACNA1HCACNA1I
SCHEMBL1729151 0.86 MGLL (0.42) PANK3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1728081 0.84 SUCNR1 (0.40) SCN10APANK3CHRM4SERPINE1BCHE
SCHEMBL1729282 0.84 PANK3 (0.40) PANK3RETCACNA1HCHRM4
SCHEMBL1727881 0.80 CNR2 (0.48) RETDRD4MGLL
SCHEMBL1729206 0.79 SLC6A7 (0.42) MGLL
SCHEMBL1730240 0.78 SLC6A7 (0.41) PANK3RETMGLL
SCHEMBL1727999 0.78 PDE4A (0.40) MGLL

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