SCHEMBL4602859

SCHEMBL4602859

C#CCOc1c(F)cc(C(=O)N(C)C2(C)CCCCC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TP53 P04637 2/20 0.33
SLC6A5 Q9Y345 4/20 0.32
SCN9A Q15858 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
THRB P10828 2/20 0.31
LMNA P02545 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
DHODH Q02127 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
SCHEMBL3797358 0.85 TP53 (0.30) MAOAMAOBTP53
SCHEMBL4603982 0.82 TP53 (0.42) MAOBTP53SLC6A5
SCHEMBL4244884 0.79 CTSK (0.40) TP53SLC6A5CTSLCTSSCTSK
SCHEMBL2289214 0.78 TP53 (0.58) TP53SLC6A5THRBLMNA
SCHEMBL4603967 0.78 MAOA (0.34) MAOAMAOB
SCHEMBL4249769 0.77 TP53 (0.43) TP53SLC6A5CTSLCTSSCTSK
SCHEMBL4604796 0.75 THRA (0.36) MAOAMAOBSLC6A5THRBLMNA
SCHEMBL4246197 0.75 P2RX3 (0.34) MAOBTP53SLC6A5SCN9ACTSL
SCHEMBL4603740 0.74 TAS1R3 (0.34) MAOAMAOB
SCHEMBL4241632 0.74 CTSS (0.42) TP53SLC6A5CTSLCTSSCTSK

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