SCHEMBL31107289

SCHEMBL31107289

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DPP4 P27487 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
SETD7 Q8WTS6 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 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
SCHEMBL24558188 1.00 USP30 (0.39) USP30GPR119FNTAFNTBCDK4
SCHEMBL24558073 0.86 USP30 (0.43) USP30GPR119IDO1TDO2DPP4
SCHEMBL29046811 0.86 USP30 (0.43) USP30GPR119IDO1TDO2DPP4
SCHEMBL28671300 0.85 DPP4 (0.33) CDK4CCND1CCND3CDK6DPP4
SCHEMBL28671298 0.85 DPP4 (0.33) CDK4CCND1CCND3CDK6DPP4
SCHEMBL31022332 0.83 GPR119 (0.42) USP30GPR119FNTAFNTBIDO1
SCHEMBL34471700 0.83 GPR119 (0.42) USP30GPR119FNTAFNTBIDO1
SCHEMBL31022118 0.83 GPR119 (0.42) USP30GPR119FNTAFNTBIDO1
SCHEMBL4412062 0.82 USP30 (0.54) USP30DPP4TRPV3SETD7
SCHEMBL31107254 0.81 TRPV3 (0.36) USP30GPR119CDK4CCND1CCND3

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-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed