SCHEMBL16404241

SCHEMBL16404241

Cc1c(C(=O)Nc2cccc3ccccc23)nc(C(F)(F)F)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.61
CNR2 P34972 4/20 0.61
NPY5R Q15761 1/20 0.53
MDM2 Q00987 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GRM5 P41594 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 3/20 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
SCHEMBL16404204 0.85 CNR1 (0.67) CNR1CNR2MDM2CYP1A2CYP3A4
SCHEMBL16404246 0.82 CNR1 (0.61) CNR1CNR2MDM2CYP1A2CYP3A4
SCHEMBL16404257 0.75 CNR1 (0.60) CNR1CNR2NPY5RKDM4EKMT2A
SCHEMBL16404232 0.74 CNR2 (0.56) CNR1CNR2NPY5RMDM2CYP1A2
SCHEMBL16404230 0.74 CNR2 (0.66) CNR1CNR2NPY5RMDM2CYP1A2
SCHEMBL16404212 0.74 CNR2 (0.66) CNR1CNR2NPY5RMDM2CYP1A2
SCHEMBL16404222 0.72 CNR2 (0.74) CNR1CNR2
SCHEMBL16404251 0.72 CNR1 (0.61) CNR1CNR2NPY5RGRM5
SCHEMBL16404206 0.70 CNR1 (0.60) CNR1CNR2GRM5
SCHEMBL5999099 0.69 CNR1 (0.65) CNR1CNR2NPC1RAB9AKMT2A

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
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed