SCHEMBL20274176

SCHEMBL20274176

O=C(CO)N1CCN(Cc2ccc3cc(C(F)(F)F)ccc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
FAAH O00519 3/20 0.47
SCN9A Q15858 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SCN7A Q01118 3/20 0.43
KCNH2 Q12809 3/20 0.43
HTR2C P28335 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
MAPT P10636 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LTA4H P09960 1/20 0.41

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 0.92 FAAH (0.46) MCHR1FAAHSCN9AL3MBTL1
SCHEMBL6755108 0.81 MAOA (0.51) MCHR1FAAHHTR2CMAPT
SCHEMBL20274112 0.81 HRH3 (0.60) MCHR1SCN9ASCN7AKCNH2MAPT
SCHEMBL20274158 0.80 LTA4H (0.53) MCHR1FAAHL3MBTL1HTR2CLTA4H
SCHEMBL6754196 0.78 MCHR1 (0.57) MCHR1MAPT
SCHEMBL20274135 0.76 FAAH (0.47) FAAHKCNH2
SCHEMBL6752995 0.76 MCHR1 (0.47) MCHR1HTR2CMAPT
SCHEMBL20274125 0.76 AKR1B1 (0.53) L3MBTL1
SCHEMBL20274177 0.76 AKR1B1 (0.48) SCN9AL3MBTL1KCNH2PDE3BPDE3A
SCHEMBL20274133 0.75 MAOA (0.51) FAAHL3MBTL1

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