SCHEMBL1730213

SCHEMBL1730213

CNC(=O)CN(CCN1CCN(c2ccc(-c3cccc(OC)c3)cn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.47
EGLN1 Q9GZT9 1/20 0.46
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
HTR1A P08908 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
AVPR1B P47901 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1729203 0.91 GRIN1 (0.42) DRD4PRMT5WDR77DRD3HTR1A
SCHEMBL1729043 0.90 EGLN1 (0.41) DRD4EGLN1DRD3HTR1AHSD17B10
SCHEMBL1730270 0.90 EGLN1 (0.47) DRD4EGLN1PRMT5WDR77DRD3
SCHEMBL1728914 0.86 MCHR1 (0.44) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL1727730 0.85 MAPT (0.46) DRD4DRD2MAPTTP53AVPR1B
SCHEMBL1728997 0.83 DRD2 (0.42) DRD4EGLN1DRD3DRD2HTR1A
SCHEMBL1728057 0.83 MCHR1 (0.42) DRD4DRD3HTR1ALMNASMN1; SMN2
SCHEMBL1729085 0.81 RET (0.41) DRD4EGLN1DRD3HTR1AHTR2A
SCHEMBL1728732 0.80 DRD4 (0.62) DRD4EGLN1DRD3DRD2MAPT
SCHEMBL1730370 0.80 CNR1 (0.44) DRD4DRD3DRD2HTR1AMAPT

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