SCHEMBL1729308

SCHEMBL1729308

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc3cc(Cl)ccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
HTR3A P46098 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
ACACB O00763 1/20 0.39
PDE10A Q9Y233 3/20 0.39
PDE2A O00408 1/20 0.37
HTR1A P08908 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
F10 P00742 4/20 0.35
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL1729370 0.95 HRH3 (0.43) HRH3HTR3AHRH4ACACBPDE10A
SCHEMBL1728927 0.88 HRH3 (0.47) HRH3ACACBMCHR1KCNH2
SCHEMBL1728165 0.87 KDM4E (0.45) HRH3HTR3AHRH4PDE10APDE2A
SCHEMBL1729779 0.87 SMO (0.34) PDE10APDE2AF10DGAT1KCNH2
SCHEMBL1727926 0.86 HRH3 (0.46) HRH3HTR3AHRH4ACACBPDE10A
SCHEMBL1727892 0.84 HTR1A (0.39) HRH3HTR3AHTR1A
SCHEMBL1728881 0.83 HCAR2 (0.36) PDE10A
SCHEMBL1729592 0.82 PTGES (0.42) PDE10APDE2AFAAH
SCHEMBL1730418 0.82 HRH3 (0.45) HRH3HTR3AHRH4ACACBPDE10A
SCHEMBL1727558 0.81 KCNH2 (0.40) MCHR1DGAT1KCNH2

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