SCHEMBL17560313

SCHEMBL17560313

CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
HSD11B1 P28845 4/20 0.51
CYP2C9 P11712 1/20 0.51
USP30 Q70CQ3 8/20 0.51
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM5A P29375 1/20 0.45
PARP1 P09874 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL17560314 1.00 EPHX1 (0.55) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL2040388 1.00 EPHX1 (0.55) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL10268244 0.91 EPHX1 (0.65) EPHX1ALDH1A1
SCHEMBL15175973 0.88 NR1H2 (0.49) EPHX1HSD11B1CYP2C9USP30ALDH1A1
SCHEMBL2000384 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL2000386 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL2000993 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL30505540 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL18632877 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4
SCHEMBL7456395 0.87 EPHX1 (0.53) EPHX1HSD11B1CYP2C9USP30HDAC4

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
CN-112707893-B 1-cyanopyrrolidine compounds as USP30 inhibitors 特殊治疗有限公司 2023-10-31 CN disclosed
WO-2016034134-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-10 WO disclosed