SCHEMBL1728683

SCHEMBL1728683

CNC(=O)CN(CCC1CCN(c2cccc(C)n2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
PDE10A Q9Y233 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
MAP4K4 O95819 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
CKS1B P61024 3/20 0.38
SKP1 P63208 3/20 0.38
SKP2 Q13309 3/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 1/20 0.37
EPHX2 P34913 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 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
SCHEMBL1727727 0.91 MAP4K4 (0.40) DRD3MAP4K4CKS1BSKP1SKP2
SCHEMBL1727877 0.88 ACACB (0.39) DRD3HTR1AMAP4K4CKS1BSKP1
SCHEMBL1728810 0.86 CKS1B (0.38) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL1727770 0.85 HRH3 (0.38) DRD3HTR1AMAP4K4CKS1BSKP1
SCHEMBL1728164 0.85 KDM4E (0.45) PDE10AMAP4K4HTR3EHTR3BHTR3A
SCHEMBL1727922 0.84 DRD2 (0.46) DRD3HTR1AHTR2ADRD2
SCHEMBL1729590 0.83 PTGES (0.46) DRD3PDE10AMAP4K4CKS1BSKP1
SCHEMBL1727890 0.83 HTR1A (0.40) PDE10AHTR1AMAP4K4ACACBACACA
SCHEMBL1727647 0.83 MAP4K4 (0.40) PDE10AMAP4K4CKS1BSKP1SKP2
SCHEMBL1728883 0.82 MAP4K4 (0.44) PDE10AMAP4K4CKS1BSKP1SKP2

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