SCHEMBL6919704

SCHEMBL6919704

C#CC(=O)NCC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
EPHX1 P07099 1/20 0.32
NAMPT P43490 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL9171624 0.80
SCHEMBL2820655 0.75 EPHX1 (0.45) FAAHCNR1CNR2CYP2D6CYP2C19
SCHEMBL8367401 0.73
SCHEMBL2332536 0.73
SCHEMBL2332543 0.73
SCHEMBL14088906 0.73
SCHEMBL22311455 0.73
SCHEMBL799657 0.73
SCHEMBL4178448 0.72
SCHEMBL8847726 0.71 USP2 (0.39) FAAHCNR1CNR2CYP2D6CYP2C19

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-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 EP claimed