SCHEMBL4601677

SCHEMBL4601677

C#CCOc1ccc(C(=O)NC2(O)CCCCC2)c(C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.35
HTR2A P28223 1/20 0.35
CYP2B6 P20813 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
PDE4B Q07343 1/20 0.34
CNR2 P34972 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4604804 0.86 HTR2A (0.35) P2RX7HTR2ACYP2B6
SCHEMBL4603987 0.78 P2RX7 (0.38) P2RX7TP53
SCHEMBL4603150 0.75 TAS1R3 (0.51) SMN1; SMN2
SCHEMBL4604443 0.74 TAS1R3 (0.50) CNR2
SCHEMBL4604851 0.73 HTR2A (0.34) P2RX7HTR2ACYP2B6
SCHEMBL4604638 0.67 ALDH1A1 (0.46) CNR2
SCHEMBL4605222 0.66 HPGD (0.41) HTR2ACNR2
SCHEMBL4245123 0.66 SLC6A5 (0.58) P2RX7CYP2B6LMNASMN1; SMN2TP53
SCHEMBL4602808 0.66 HPGD (0.44) CNR2
SCHEMBL4604358 0.65 TAS1R3 (0.41) HTR2APDE4BCNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed