SCHEMBL1729017

SCHEMBL1729017

NC(=O)CN(CCN1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
RET P07949 1/20 0.39
MCHR1 Q99705 2/20 0.38
PPARD Q03181 2/20 0.38
CHRM4 P08173 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
KCNA5 P22460 1/20 0.38
PANK3 Q9H999 2/20 0.37
AOC3 Q16853 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37

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
SCHEMBL1728819 0.90 SLC6A7 (0.43) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1727895 0.89 EGLN1 (0.43) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1728057 0.88 MCHR1 (0.42) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1729147 0.85 MGLL (0.43) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1728079 0.84 DRD2 (0.42) DRD3HTR1ADRD4HTR2AHRH2
SCHEMBL1729278 0.83 HTR1A (0.41) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL13136653 0.81 SLC6A4 (0.46) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1730270 0.81 EGLN1 (0.47) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1727526 0.80 HRH2 (0.47) DRD3HTR1ADRD4HTR2ASLC6A4
SCHEMBL1727880 0.80 CNR2 (0.50) DRD3HTR1ADRD4HTR2ASLC6A4

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