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Sugi Predict / Compounds / SCHEMBL4781769

SCHEMBL4781769

SCHEMBL4781769

CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4D Q6B0I6 2/20 0.45
▸ USP30 Q70CQ3 7/20 0.43
▸ POLB P06746 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ UCHL1 P09936 4/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL8221589 0.86 GPR119 (0.43) KDM4DUSP30GPR119UCHL1MMP13
SCHEMBL4726619 0.85 DAGLB (0.42) —
SCHEMBL4726621 0.85 DAGLB (0.42) —
SCHEMBL1795627 0.82 GPR119 (0.43) GPR119UCHL1
SCHEMBL25969334 0.82 GPR119 (0.43) GPR119UCHL1
SCHEMBL3443002 0.82 GPR119 (0.43) GPR119UCHL1
SCHEMBL3443180 0.81 GPR119 (0.46) USP30POLBGPR119KDM4E
SCHEMBL3538308 0.81 GPR119 (0.43) GPR119UCHL1
SCHEMBL3442875 0.80 RIPK1 (0.45) GPR119UCHL1
SCHEMBL4781869 0.80 USP30 (0.43) USP30GPR119UCHL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 — — WO disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 — — WO disclosed