SCHEMBL1730237

SCHEMBL1730237

N#Cc1cccc(-c2ccc(N3CCN(CCN(CC(N)=O)C(=O)O)CC3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.44
AOC3 Q16853 1/20 0.44
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
RET P07949 2/20 0.41
SLC6A4 P31645 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A7 Q99884 1/20 0.40
KDR P35968 1/20 0.40
MET P08581 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CYP11B2 P19099 1/20 0.39
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
MLNR O43193 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
SCHEMBL1729278 0.90 HTR1A (0.41) AOC3AURKAAURKBHRH1RET
SCHEMBL1728914 0.89 MCHR1 (0.44) MCHR1HRH2HRH1RETSLC6A4
SCHEMBL1727880 0.86 CNR2 (0.50) AOC3AURKAAURKBHRH2HRH1
SCHEMBL1729843 0.85 CNR1 (0.44) MCHR1HTR1ADRD4HTR2ADRD3
SCHEMBL1730270 0.84 EGLN1 (0.47) AOC3AURKAAURKBRETSLC6A4
SCHEMBL1728819 0.83 SLC6A7 (0.43) AOC3AURKAAURKBSLC6A4HTR1A
SCHEMBL1729147 0.81 MGLL (0.43) AOC3AURKAAURKBSLC6A4HTR1A
SCHEMBL1727411 0.80 DRD4 (0.47) HRH2HRH1RETSLC6A4HTR1A
SCHEMBL1728853 0.79 CNR1 (0.44) MCHR1AOC3HTR1ADRD4HTR2A
SCHEMBL1727895 0.79 EGLN1 (0.43) AOC3AURKAAURKBHRH2HRH1

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