SCHEMBL20274158

SCHEMBL20274158

O=C(CO)N1CCN(Cc2cnc3cc(C(F)(F)F)ccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
FAAH O00519 13/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 1/20 0.45
MCHR1 Q99705 1/20 0.45
MDH1 P40925 1/20 0.45
MDH2 P40926 1/20 0.45

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
SCHEMBL20274138 0.81 FAAH (0.46) FAAHL3MBTL1MCHR1MDH1MDH2
SCHEMBL20274176 0.80 MCHR1 (0.49) LTA4HFAAHL3MBTL1HTR2CMCHR1
SCHEMBL15727616 0.79 MCHR1 (0.46) HTR2CMCHR1
SCHEMBL20274125 0.78 AKR1B1 (0.53) L3MBTL1
SCHEMBL20274177 0.76 AKR1B1 (0.48) L3MBTL1MDH1MDH2
SCHEMBL15727617 0.74 MAOB (0.44)
SCHEMBL15727615 0.74 MAPK1 (0.40) FAAHHTR2CMCHR1
SCHEMBL20274112 0.73 HRH3 (0.60) MCHR1
SCHEMBL20274133 0.71 MAOA (0.51) FAAHL3MBTL1MDH1MDH2
SCHEMBL20274141 0.71 RAB9A (0.52)

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