SCHEMBL20458248

SCHEMBL20458248

CC(C)(C)OC(=O)N1CC[C@H]1C(O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
USP30 Q70CQ3 1/20 0.40
AR P10275 1/20 0.39
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 3/20 0.37
RORC P51449 3/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL20458168 0.92 EPHX2 (0.44) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL9892820 0.79 NPC1 (0.55) USP30ARMEN1KMT2ANPC1
SCHEMBL13257803 0.75 NPC1 (0.60) USP30ARMEN1KMT2ANPC1
SCHEMBL16238686 0.75 NPC1 (0.60) USP30ARMEN1KMT2ANPC1
SCHEMBL9892925 0.71 NPC1 (0.55) USP30MEN1KMT2ANPC1EPHX2
SCHEMBL16583074 0.70 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL16583073 0.70 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL16583076 0.70 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL20458205 0.70 RAB9A (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22470105 0.69 ALDH1A1 (0.42) USP30MEN1KMT2ANPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed