SCHEMBL30409934

SCHEMBL30409934

C#Cc1cccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.42
NR1H2 P55055 11/20 0.40
NR1H3 Q13133 10/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MET P08581 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
SCHEMBL24216237 1.00 GPR119 (0.42) GPR119NR1H2NR1H3GABRA1GABRG2
SCHEMBL5782035 0.83 GPR119 (0.46) GPR119NR1H2NR1H3USP30MET
SCHEMBL21336726 0.81 GPR119 (0.56) GPR119NR1H2NR1H3LMNA
SCHEMBL30409181 0.80 GPR119 (0.43) GPR119NR1H2NR1H3USP30MET
SCHEMBL24215992 0.80 GPR119 (0.43) GPR119NR1H2NR1H3USP30MET
SCHEMBL30409365 0.80 GPR119 (0.43) GPR119NR1H2NR1H3USP30MET
SCHEMBL30460245 0.80 GPR119 (0.56) GPR119LMNA
SCHEMBL24216358 0.80 GPR119 (0.56) GPR119LMNA
SCHEMBL24216198 0.78 NR1H2 (0.40) GPR119NR1H2NR1H3GABRA1GABRG2
SCHEMBL5782039 0.78 MAPT (0.47) GPR119NR1H2NR1H3LMNA

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-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 CN disclosed