SCHEMBL31022332

SCHEMBL31022332

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2F)[C@H](CO)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.42
USP30 Q70CQ3 1/20 0.41
DPP4 P27487 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CXCR3 P49682 1/20 0.38
TRPV3 Q8NET8 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 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
SCHEMBL31022118 1.00 GPR119 (0.42) GPR119USP30DPP4IDO1TDO2
SCHEMBL34471700 1.00 GPR119 (0.42) GPR119USP30DPP4IDO1TDO2
SCHEMBL24763869 0.91 GPR119 (0.40) GPR119USP30IDO1TDO2FNTA
SCHEMBL31729058 0.88 CYP3A4 (0.43) GPR119USP30CXCR3TRPV3
SCHEMBL30729623 0.87 CXCR3 (0.50) GPR119CXCR3
SCHEMBL31491286 0.87 CXCR3 (0.50) GPR119CXCR3
SCHEMBL26958997 0.87 CXCR3 (0.50) GPR119CXCR3
SCHEMBL14465886 0.87 CXCR3 (0.50) GPR119CXCR3
SCHEMBL24764604 0.87 GPR119 (0.42) GPR119USP30IDO1TDO2TRPV3
SCHEMBL16652727 0.86 GPR119 (0.48) GPR119IDO1TDO2

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-118459483-A Fused tricyclic compounds, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-09 CN disclosed