SCHEMBL1729610

SCHEMBL1729610

NC(=O)CN(CCC1CCN(c2ccc3c(Cl)cccc3n2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ACACB O00763 6/20 0.37
ACACA Q13085 6/20 0.37
P2RX7 Q99572 7/20 0.37
KCNH2 Q12809 1/20 0.36
PTPN11 Q06124 1/20 0.36
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL1727890 0.88 HTR1A (0.40) HTR1AACACBACACAP2RX7KCNH2
SCHEMBL1727953 0.87 PDE10A (0.45) HTR1AHTR3AHRH3PDE10A
SCHEMBL1728230 0.86 PDE10A (0.45) PTPN11PDE10A
SCHEMBL1730416 0.83 HRH3 (0.47) HTR1AACACBACACAKCNH2HTR3A
SCHEMBL1727924 0.83 HRH3 (0.48) HTR1AACACBKCNH2HTR3AHRH3
SCHEMBL1729037 0.81 HCAR2 (0.46) ACACBACACAHTR3APDE10A
SCHEMBL1727546 0.81 HSD11B1 (0.39) ACACBACACAKCNH2HTR3A
SCHEMBL1727572 0.79 CNR1 (0.41) HTR1A
SCHEMBL239521 0.79 P2RX7 (0.48) HTR1AACACBACACAP2RX7PTPN11
SCHEMBL1730164 0.79 DEGS1 (0.47) KCNH2PDE10A

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