SCHEMBL20570833

SCHEMBL20570833

O=C(O)N1CCN(Cc2ccc(C(F)(F)F)c(-c3nccs3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
FAAH O00519 5/20 0.43
KDR P35968 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SCD O00767 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 1/20 0.38
P2RX7 Q99572 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 1/20 0.37

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
SCHEMBL20567025 0.86 GPR119 (0.48) TBK1
SCHEMBL30302074 0.85 MGLL (0.64) MGLLFAAH
SCHEMBL20566954 0.85 MGLL (0.64) MGLLFAAH
SCHEMBL24969816 0.83 MGLL (0.50) MGLLFAAHKDR
SCHEMBL20566654 0.83 KDR (0.43) KDRMEN1KMT2ATDP1
SCHEMBL22041699 0.82 MGLL (0.49) MGLLFAAHSCD
SCHEMBL30302087 0.79 MGLL (0.51) MGLLFAAH
SCHEMBL20567100 0.79 MGLL (0.51) MGLLFAAH
SCHEMBL20571263 0.75 NOTUM (0.43) MGLLFAAHKDM4EALDH1A1MEN1
SCHEMBL20570037 0.75 FAAH (0.50) FAAHKDM4EALDH1A1MEN1KMT2A

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-3630744-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-08 EP disclosed
WO-2018217805-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed