SCHEMBL1728853

SCHEMBL1728853

N#Cc1ccc(-c2cccc(N3CCN(CCN(CC(N)=O)C(=O)O)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 1/20 0.39
HSD11B1 P28845 4/20 0.38
CASR P41180 1/20 0.37
SCN9A Q15858 2/20 0.36
AOC3 Q16853 1/20 0.36
POLB P06746 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MCHR1 Q99705 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
SCHEMBL1729843 0.91 CNR1 (0.44) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1727866 0.88 CNR1 (0.44) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1728979 0.88 HTR1A (0.43) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1729806 0.85 CNR1 (0.44) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1728079 0.84 DRD2 (0.42) HTR1AHTR2AHTR2CHTR7DRD2
SCHEMBL1729278 0.83 HTR1A (0.41) CNR1HTR1AHTR2AHTR7DRD4
SCHEMBL1727643 0.82 CNR1 (0.47) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1730286 0.80 CNR1 (0.44) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1728845 0.80 CNR1 (0.45) CNR1HTR1AHTR2AHTR2CHTR7
SCHEMBL1730237 0.79 MCHR1 (0.44) HTR1AHTR2ADRD4DRD3CASR

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