SCHEMBL30409435

SCHEMBL30409435

C[C@@H]1CN(c2cccc(C=C(Br)Br)c2)C[C@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
NR1H2 P55055 11/20 0.40
NR1H3 Q13133 10/20 0.40
ABCB1 P08183 2/20 0.38
USP30 Q70CQ3 1/20 0.36
MET P08581 2/20 0.35

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
SCHEMBL24216086 1.00 GPR119 (0.41) GPR119NR1H2NR1H3ABCB1USP30
SCHEMBL30409365 0.87 GPR119 (0.43) GPR119NR1H2NR1H3ABCB1USP30
SCHEMBL30409181 0.87 GPR119 (0.43) GPR119NR1H2NR1H3ABCB1USP30
SCHEMBL24215992 0.87 GPR119 (0.43) GPR119NR1H2NR1H3ABCB1USP30
SCHEMBL5782035 0.81 GPR119 (0.46) GPR119NR1H2NR1H3USP30MET
SCHEMBL25999545 0.81 ABCB1 (0.55) GPR119ABCB1
SCHEMBL21336726 0.79 GPR119 (0.56) GPR119NR1H2NR1H3ABCB1
SCHEMBL24215756 0.79 NR1H2 (0.39) GPR119NR1H2NR1H3ABCB1USP30
SCHEMBL24216237 0.77 GPR119 (0.42) GPR119NR1H2NR1H3USP30MET
SCHEMBL30409934 0.77 GPR119 (0.42) GPR119NR1H2NR1H3USP30MET

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