SCHEMBL22296453

SCHEMBL22296453

CC(F)(F)CCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.51
CES1 P23141 3/20 0.51
SIGMAR1 Q99720 10/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL28303524 0.98 FAAH (0.49) FAAHCES1SIGMAR1L3MBTL1MAOA
SCHEMBL28037433 0.83 FAAH (0.55) FAAHCES1SIGMAR1MAOAMAPT
SCHEMBL31038120 0.83 FAAH (0.55) FAAHCES1SIGMAR1MAOAMAPT
SCHEMBL29449362 0.83 ALDH1A1 (0.44) CES1L3MBTL1
SCHEMBL9192045 0.81 MAOA (0.52) FAAHCES1SIGMAR1L3MBTL1MAOA
SCHEMBL4742953 0.81 MAOA (0.52) SIGMAR1L3MBTL1MAOAMAOB
SCHEMBL17288469 0.80 FAAH (0.51) FAAHCES1SIGMAR1MAOAMAPT
SCHEMBL17288637 0.80 FAAH (0.51) FAAHCES1SIGMAR1MAOAMAPT
SCHEMBL28882516 0.79 FAAH (0.46) FAAHCES1SIGMAR1L3MBTL1MAOA
SCHEMBL23136877 0.79 FAAH (0.44) FAAHCES1SIGMAR1L3MBTL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426032-B1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-05 EP disclosed