SCHEMBL3393368

SCHEMBL3393368

C#CCCN(C)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 9/20 0.59
PRMT6 Q96LA8 1/20 0.47
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 3/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
PRMT1 Q99873 2/20 0.40
SLC6A2 P23975 1/20 0.40
MAOB P27338 1/20 0.40
LSS P48449 1/20 0.39

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
SCHEMBL3393091 0.85 PYCR1 (0.67) PYCR1SLC6A4ALDH1A1TSHRMAOB
SCHEMBL13074386 0.82 SLC6A4 (0.57) PYCR1PRMT6SLC6A4SLC6A3ACHE
SCHEMBL13070308 0.81 PRMT6 (0.51) PRMT6SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL17917641 0.80 PRMT6 (0.50) PRMT6SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL13070310 0.79 ACHE (0.49) PYCR1PRMT6SLC6A4SLC6A3ACHE
SCHEMBL31612503 0.78 PRMT6 (0.48) PRMT6SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL14376138 0.77 ACHE (0.53) PRMT6SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL3396909 0.77 SLC6A4 (0.56) PYCR1SLC6A4SLC6A3ACHEALDH1A1
SCHEMBL2056224 0.76 SLC6A4 (0.66) PRMT6SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL3394463 0.75 PYCR1 (0.47) PYCR1SLC6A4SLC6A3TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed