SCHEMBL20274149

SCHEMBL20274149

Nc1ccc(NC2CCCCC2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.53
CNR2 P34972 6/20 0.53
CNR1 P21554 4/20 0.53
FFAR4 Q5NUL3 6/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 2/20 0.42
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL13158252 0.85 MAPK1 (0.45) ARCNR2CNR1FFAR4FFAR1
SCHEMBL15686371 0.85 CNR2 (0.55) ARCNR2CNR1FFAR4FFAR1
SCHEMBL2630679 0.85 CNR2 (0.45) ARCNR2CNR1FFAR4FFAR1
SCHEMBL20651127 0.81 CNR2 (0.56) ARCNR2CNR1KDM4EMAPT
SCHEMBL20651135 0.79 CNR2 (0.54) ARCNR2CNR1KDM4EMAPT
SCHEMBL20274107 0.78 TRPA1 (0.61) ARCNR2CNR1
SCHEMBL20651344 0.78 AR (0.53) ARCNR2CNR1KDM4EMAPT
SCHEMBL13456269 0.78 AR (0.53) ARCNR2CNR1KDM4EMAPT
SCHEMBL15727592 0.76 LMNA (0.52) ARCNR2CNR1MAPTGAA
SCHEMBL3792014 0.76 MAPT (0.46) KDM4EMAPTGAAMEN1APAF1

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-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed