SCHEMBL1729043

SCHEMBL1729043

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
DRD4 P21917 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
HDAC2 Q92769 1/20 0.40
PPARA Q07869 1/20 0.40
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CACNA1H O95180 1/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1G O43497 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL1730213 0.90 DRD4 (0.47) EGLN1DRD4HTR1AHTR2ASLC6A4
SCHEMBL1728057 0.90 MCHR1 (0.42) DRD4HTR1AHTR2ASLC6A4DRD3
SCHEMBL1727895 0.89 EGLN1 (0.43) EGLN1DRD4HTR1AHTR2ASLC6A4
SCHEMBL1728997 0.89 DRD2 (0.42) EGLN1DRD4HTR1AHTR2ASLC6A4
SCHEMBL1729085 0.86 RET (0.41) EGLN1DRD4HTR1AHTR2ASLC6A4
SCHEMBL1730370 0.84 CNR1 (0.44) DRD4HTR1AHTR2ADRD3HSD17B10
SCHEMBL1729203 0.83 GRIN1 (0.42) DRD4HTR1AHTR2ASLC6A4DRD3
SCHEMBL1728914 0.81 MCHR1 (0.44) DRD4HTR1AHTR2ASLC6A4DRD3
SCHEMBL1730270 0.79 EGLN1 (0.47) EGLN1DRD4HTR1AHTR2ASLC6A4
SCHEMBL1729537 0.78 DRD4 (0.55) EGLN1DRD4PPARAACHE

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