SCHEMBL1727489

SCHEMBL1727489

NC(=O)CN(C(=O)O)C1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.44
ADORA2A P29274 3/20 0.44
KCNH2 Q12809 3/20 0.44
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
SCD O00767 1/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
TDO2 P48775 2/20 0.42
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AOC3 Q16853 1/20 0.41
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL1728878 0.91 AOC3 (0.46) DGAT1KCNH2MCHR1KDM4EABL1
SCHEMBL1727662 0.83 HTR1A (0.43) DGAT1ADORA2AKCNH2MCHR1KDM4E
SCHEMBL1727925 0.82 AKR1C3 (0.44) DGAT1MCHR1KDM4EABL1LMNA
SCHEMBL1727605 0.82 DGAT1 (0.44) DGAT1ADORA2AKCNH2MCHR1KDM4E
SCHEMBL1729052 0.81 NPC1 (0.43) HTR1ADRD4HTR2ADRD3L3MBTL1
SCHEMBL1730021 0.78 HTR1A (0.41) KDM4EHTR1AAOC3OPRM1
SCHEMBL14796958 0.78 MCHR1 (0.56) KCNH2MCHR1SCD
SCHEMBL1729788 0.74 TDO2 (0.53) DGAT1ADORA2AKCNH2MCHR1SCD
SCHEMBL1729030 0.73 CKS1B (0.55) DGAT1ADORA2AKCNH2SCDHTR1A
SCHEMBL3265677 0.73 TDO2 (0.51) DGAT1ADORA2AKCNH2SCDTDO2

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