SCHEMBL1728645

SCHEMBL1728645

N#Cc1ccc(-c2cccc(N3CCN(CCNC(=O)O)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CD274 Q9NZQ7 1/20 0.46
HTR1A P08908 6/20 0.45
HTR2A P28223 5/20 0.45
DRD3 P35462 4/20 0.45
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
HSD11B1 P28845 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1D P28221 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL1729632 0.90 CNR1 (0.51) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1727728 0.86 CNR1 (0.47) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1728049 0.83 DRD4 (0.51) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1727732 0.81 CD274 (0.50) CD274HTR1AHTR2ADRD3DRD4
SCHEMBL1727631 0.81 HTR1A (0.48) HTR1AHTR2ADRD3HTR2CHTR7
SCHEMBL1727657 0.80 CNR1 (0.54) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1728853 0.79 CNR1 (0.44) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1727866 0.78 CNR1 (0.44) CNR1HTR1AHTR2ADRD3HTR2C
SCHEMBL1727960 0.78 DRD4 (0.56) CNR1HTR1AHTR2ADRD3DRD4
SCHEMBL1727411 0.77 DRD4 (0.47) HTR1AHTR2ADRD3DRD4DRD2

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