SCHEMBL4604440

SCHEMBL4604440

C#CCOc1ccc(C(=O)N(C)C2CCC(C)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
PDE4B Q07343 1/20 0.43
BRD4 O60885 1/20 0.41
CYP2B6 P20813 1/20 0.41
ELANE P08246 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTB4R Q15722 1/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL4603140 0.84 MAOB (0.43) MAOBPDE4BCYP2B6ELANEACHE
SCHEMBL4242863 0.79 CYP2B6 (0.49) CYP2B6ACHEMEN1KMT2ANPC1
SCHEMBL4245835 0.77 MAPK14 (0.51) PDE4BCYP2B6POLB
SCHEMBL4601675 0.76 SLC6A5 (0.47) MAOBPDE4BCYP2B6ELANEACHE
SCHEMBL2286794 0.74 TSHR (0.68) MAOBPDE4BCYP2B6TSHRMAPK1
SCHEMBL12799701 0.74 MAOB (0.63) MAOBPDE4BCYP2B6ACHETSHR
Hydrochloric Acid SCHEMBL4252982 0.73 TSHR (0.66) MAOBPDE4BCYP2B6TSHRMAPK1
SCHEMBL2286198 0.73 CYP2B6 (0.54) MAOBPDE4BCYP2B6ACHETSHR
SCHEMBL668221 0.73 MAPT (0.59) MAOBPDE4BCYP2B6TSHRMAPK1
SCHEMBL4240861 0.73 HPGD (0.50) MAOBPDE4BCYP2B6POLBTSHR

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