SCHEMBL20569780

SCHEMBL20569780

NC(=O)c1ccc(CN2CCN(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.52
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL25491087 0.87 FAAH (0.44) FAAHKDM4EMEN1KMT2AATM
SCHEMBL2778173 0.86 FAAH (0.53) FAAHKDM4EMEN1KMT2AATM
SCHEMBL20567707 0.85 FAAH (0.46) FAAHL3MBTL1
SCHEMBL20567143 0.85 CHRM3 (0.51) FAAHMEN1KMT2ATDP1SIGMAR1
SCHEMBL2312576 0.84 FAAH (0.54) FAAHKDM4EMEN1KMT2AATM
SCHEMBL20570843 0.84 FAAH (0.52) FAAHKDM4EMEN1KMT2AATM
SCHEMBL20566586 0.82 FAAH (0.59) FAAH
SCHEMBL20571160 0.81 FAAH (0.49) FAAHKDM4EMEN1KMT2AATM
SCHEMBL20570037 0.81 FAAH (0.50) FAAHKDM4EMEN1KMT2AATM
SCHEMBL2931107 0.80 KMT2A (0.53) FAAHKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634404-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-15 EP disclosed
EP-3630744-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-08 EP disclosed
WO-2018217809-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed
WO-2018217805-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed