SCHEMBL4604796

SCHEMBL4604796

C#CCOc1ccc(C(=O)N(C)C2(O)CCCCC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SLC6A5 Q9Y345 2/20 0.34
PDE4B Q07343 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2B6 P20813 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.32
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4601675 0.87 SLC6A5 (0.47) MAOBSLC6A5PDE4BMAPK1CYP2B6
SCHEMBL4603982 0.82 TP53 (0.42) MAOBSLC6A5PDE4BHTTCYP2B6
SCHEMBL4249982 0.78 TAS1R3 (0.41) MAOBSLC6A5PDE4BLMNACYP2B6
SCHEMBL4248762 0.77 CTSK (0.44) SLC6A5CYP2B6
SCHEMBL4240867 0.76 P2RX7 (0.43) SLC6A5L3MBTL1
SCHEMBL4241529 0.75 SLC6A5 (0.44) SLC6A5LMNACYP2B6L3MBTL1TDP1
SCHEMBL4602859 0.75 RIPK1 (0.33) THRBMAOAMAOBSLC6A5LMNA
SCHEMBL12799708 0.74 MAOB (0.44) THRATHRBMAOAMAOBPDE4B
SCHEMBL2283999 0.73 LMNA (0.57) THRATHRBPDE4BLMNAMAPK1
SCHEMBL3287601 0.72 CYP2B6 (0.41) THRATHRBPDE4BLMNAMAPK1

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