SCHEMBL20439309

SCHEMBL20439309

CC(C)(C)OC(=O)N1CC(Oc2c(F)cc(Br)cc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.52
DPP4 P27487 1/20 0.41
RORC P51449 3/20 0.40
GPR119 Q8TDV5 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NR1H2 P55055 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PDE4B Q07343 2/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL20165945 0.89 USP30 (0.43) USP30DPP4RORCGPR119NR1H2
SCHEMBL25394031 0.87 GPR119 (0.53) USP30DPP4GPR119PDE4B
SCHEMBL22817815 0.84 USP30 (0.43) USP30DPP4RORCGPR119NR1H2
SCHEMBL20425239 0.84 USP30 (0.57) USP30RORCGPR119PDE4B
SCHEMBL31401077 0.82 USP30 (0.47) USP30DPP4GPR119CACNB4CACNA1A
SCHEMBL27105204 0.82 GPR119 (0.47) USP30DPP4RORCGPR119NR1H2
SCHEMBL24049588 0.81 USP30 (0.54) USP30RORCGPR119PDE4BCACNB4
SCHEMBL22817807 0.80 NR1H2 (0.44) USP30RORCGPR119NR1H2HDAC1
SCHEMBL20425147 0.80 ACACB (0.33) USP30
SCHEMBL10068009 0.80 CHRM2 (0.50) USP30DPP4GPR119

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
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed