SCHEMBL20570261

SCHEMBL20570261

O=C(O)N1CCC(Oc2cccc(C(F)(F)F)c2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SCD O00767 11/20 0.47
RBP4 P02753 2/20 0.45
TTR P02766 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
SCHEMBL3132020 0.87 EPHX2 (0.65) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL20570577 0.85 KDM1A (0.53) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL20570467 0.82 EPHX2 (0.54) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL9902820 0.81 EPHX2 (0.50) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL20571095 0.80 EPHX2 (0.53) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL25414530 0.80 EPHX2 (0.59) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL4259803 0.80 EPHX2 (0.59) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL2946871 0.80 EPHX2 (0.59) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL16418281 0.79 EPHX2 (0.45) EPHX2KDM4ELMNAMAPTNPSR1
SCHEMBL20571363 0.76 SCD (0.52) EPHX2KDM4ELMNAMAPTNPSR1

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