SCHEMBL30743138

SCHEMBL30743138

CC(C)(C)OC(=O)N1CCC2(CC1)COc1cc(N)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
HRH3 Q9Y5N1 4/20 0.41
GPR119 Q8TDV5 2/20 0.40
GPR183 P32249 1/20 0.39
DPP4 P27487 1/20 0.39
NR1H2 P55055 1/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
USP30 Q70CQ3 1/20 0.38
S1PR5 Q9H228 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30743137 1.00 HDAC2 (0.43) HDAC2HDAC1HRH3GPR119GPR183
SCHEMBL31235897 0.86 S1PR5 (0.41) HDAC2HDAC1HRH3GPR119GPR183
SCHEMBL31235930 0.85 GPR119 (0.40) HDAC2HDAC1HRH3GPR119GPR183
SCHEMBL30743147 0.82 NR1H2 (0.50) HDAC2HDAC1HRH3GPR119GPR183
SCHEMBL30743131 0.80 HDAC2 (0.41) HDAC2HDAC1HRH3GPR119GPR183
SCHEMBL326175 0.79 ESR2 (0.49) HDAC1GPR119GPR183USP30S1PR5
SCHEMBL13261529 0.79 GPR119 (0.43) HDAC1GPR119GPR183PRSS1PRSS2
SCHEMBL38663673 0.78 GPR119 (0.43) HDAC1GPR119GPR183USP30S1PR5
SCHEMBL31236112 0.78 STS (0.47) HRH3GPR119GPR183PRSS1PRSS2
SCHEMBL2109867 0.77 PRSS1 (0.58) GPR119PRSS1PRSS2PRSS3

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-2024015346-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. d.b.a PROTEOVANT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed