SCHEMBL20274170

SCHEMBL20274170

O=C(CO)N1CCN(Cc2oc3ccc(C(F)(F)F)cc3c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
MAOA P21397 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
TBXAS1 P24557 1/20 0.39
FAAH O00519 2/20 0.38
DDR1 Q08345 1/20 0.38
ACHE P22303 1/20 0.37
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL20274189 0.87 L3MBTL1 (0.44) L3MBTL1SIGMAR1MDH1MDH2MAOA
SCHEMBL20274136 0.86 MEN1 (0.42) MEN1KMT2A
SCHEMBL20274140 0.85 ALDH1A1 (0.48) TBXAS1KDM4EALDH1A1KMT2ALMNA
SCHEMBL20274144 0.81 MDH1 (0.38) L3MBTL1MDH1MDH2KDM4EMEN1
SCHEMBL20274200 0.78 HRH3 (0.40) L3MBTL1PIM1
SCHEMBL20274133 0.77 MAOA (0.51) L3MBTL1SIGMAR1MDH1MDH2MAOA
SCHEMBL20274177 0.75 AKR1B1 (0.48) L3MBTL1SIGMAR1MDH1MDH2MAOA
SCHEMBL15724756 0.75 AR (0.38)
SCHEMBL15708070 0.75 AR (0.38)
SCHEMBL15727642 0.75 MAPK1 (0.39) L3MBTL1MCHR1MAPTNPSR1

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-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed