SCHEMBL19974325

SCHEMBL19974325

O=C(O)N1CCN(Cc2ccc(C(F)(F)F)cc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.49
ABHD6 Q9BV23 5/20 0.48
CYP2D6 P10635 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
FAAH O00519 3/20 0.48
PLA2G7 Q13093 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL20503399 0.85 MGLL (0.50) MGLLABHD6CYP2D6PTGDR2FAAH
SCHEMBL20167156 0.84 MGLL (0.49) MGLLABHD6CYP2D6PTGDR2FAAH
SCHEMBL18064897 0.83 MGLL (0.53) MGLLABHD6CYP2D6PLA2G7
SCHEMBL25274875 0.82 KDM4E (0.55) MGLLFAAHKDM4EALDH1A1LMNA
SCHEMBL20168556 0.82 MGLL (0.47) MGLLABHD6CYP2D6PTGDR2FAAH
SCHEMBL29531253 0.81 MGLL (0.71) MGLLABHD6CYP2D6FAAHPLA2G7
SCHEMBL20570097 0.81 MGLL (0.48) MGLLABHD6CYP2D6PTGDR2FAAH
SCHEMBL15093961 0.81 MGLL (0.71) MGLLABHD6CYP2D6FAAHPLA2G7
SCHEMBL20503460 0.81 MGLL (0.45) MGLLABHD6CYP2D6PTGDR2FAAH
Hydrochloric Acid SCHEMBL20167340 0.80 MGLL (0.70) MGLLABHD6CYP2D6FAAHPLA2G7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630744-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-08 EP disclosed
EP-3541822-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
EP-3515897-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-07-31 EP disclosed
WO-2018217805-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed