SCHEMBL20570797

SCHEMBL20570797

O=C(O)N1CCC2(CCCN2Cc2cc(-n3cccn3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.53
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL30218709 0.88 MGLL (0.49) MGLL
SCHEMBL20566495 0.88 MGLL (0.49) MGLL
SCHEMBL20567101 0.86 MGLL (0.74) MGLLFAAH
SCHEMBL30302064 0.86 MGLL (0.74) MGLLFAAH
SCHEMBL24970488 0.85 MGLL (0.62) MGLLFAAH
SCHEMBL20567736 0.85 CYP3A4 (0.44) MGLLCYP3A4CYP2D6TSHR
SCHEMBL30218711 0.85 CYP3A4 (0.44) MGLLCYP3A4CYP2D6TSHR
SCHEMBL20567352 0.81 MGLL (0.65) MGLLFAAH
SCHEMBL30302098 0.81 MGLL (0.65) MGLLFAAH
SCHEMBL25487662 0.76 MGLL (0.49) MGLL

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