SCHEMBL1729632

SCHEMBL1729632

N#Cc1cccc(-c2cccc(N3CCN(CCNC(=O)O)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
DRD3 P35462 5/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 2/20 0.43
CCR3 P51677 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1728645 0.90 CNR1 (0.50) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1727657 0.85 CNR1 (0.54) CNR1DRD3HTR1AHTR2AHTR2C
SCHEMBL1727411 0.83 DRD4 (0.47) DRD3HTR1AHTR2ACCR3DRD2
SCHEMBL1727960 0.82 DRD4 (0.56) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1727728 0.80 CNR1 (0.47) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1727394 0.80 HTR1A (0.46) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1729843 0.79 CNR1 (0.44) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1728845 0.79 CNR1 (0.45) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1728049 0.78 DRD4 (0.51) CNR1DRD3HTR1AHTR2ADRD2
SCHEMBL1727631 0.75 HTR1A (0.48) DRD3HTR1AHTR2ADRD2DRD4

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