SCHEMBL20274138

SCHEMBL20274138

O=C(CO)N1CCN(Cc2ccc3ccc(C(F)(F)F)cc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MCHR1 Q99705 1/20 0.43
ALOX5 P09917 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
CXCR3 P49682 1/20 0.40
SCN9A Q15858 1/20 0.40
PKM P14618 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
SCHEMBL20274176 0.92 MCHR1 (0.49) FAAHL3MBTL1MCHR1SCN9A
SCHEMBL20274158 0.81 LTA4H (0.53) FAAHL3MBTL1MCHR1MDH1MDH2
SCHEMBL20274177 0.79 AKR1B1 (0.48) L3MBTL1SIGMAR1MDH1MDH2SCN9A
SCHEMBL20274125 0.79 AKR1B1 (0.53) L3MBTL1
SCHEMBL20274135 0.77 FAAH (0.47) FAAH
SCHEMBL20274133 0.74 MAOA (0.51) FAAHL3MBTL1SIGMAR1MDH1MDH2
SCHEMBL20274112 0.73 HRH3 (0.60) MCHR1SCN9A
SCHEMBL15707895 0.73 AR (0.39) FAAHMCHR1CXCR3
SCHEMBL15727605 0.73 AR (0.39) FAAHMCHR1CXCR3
SCHEMBL6755108 0.72 MAOA (0.51) FAAHMCHR1SIGMAR1CXCR3

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