SCHEMBL31365772

SCHEMBL31365772

CC(C)(C)OC(=O)N1CC2(CC(=Cc3ccc(C(F)(F)F)nn3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
SCD5 Q86SK9 1/20 0.36
HDAC4 P56524 1/20 0.36
CYP11B2 P19099 1/20 0.35
ACACB O00763 1/20 0.35
KRAS P01116 1/20 0.35
RORC P51449 3/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
IDH1 O75874 1/20 0.34
IDH2 P48735 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL25299042 1.00 GPR119 (0.38) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL25291423 0.83 USP2 (0.31)
SCHEMBL31308707 0.83 GPR119 (0.37) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL25260156 0.83 GPR119 (0.37) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL25326087 0.82 ACACB (0.37) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL30700685 0.82 ACACB (0.37) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL26631451 0.82 ACACB (0.38) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL25411224 0.81 GPR119 (0.39) GPR119SCD5HDAC4CYP11B2ACACB
SCHEMBL31308716 0.80 F13A1 (0.41) GPR119SCD5ACACBRORCF13A1
SCHEMBL30700686 0.80 F13A1 (0.41) GPR119SCD5ACACBRORCF13A1

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
CN-119654326-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2025-03-18 CN disclosed