SCHEMBL21246360

SCHEMBL21246360

CC(C)CNC(=O)[C@H]([C@@H](C)O)N1CC2(CCCCC2)CC1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.31
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL21246349 0.89 USP19 (0.33) USP19
SCHEMBL21246334 0.85 USP19 (0.32) USP19
SCHEMBL21246427 0.82 SLC1A2 (0.47) USP19
SCHEMBL21246333 0.80 GRM5 (0.34) USP19
SCHEMBL21246426 0.80 GAA (0.41) POLBHSD11B1HPGD
SCHEMBL21246354 0.79 GRIN2B (0.43) USP19
SCHEMBL21246351 0.79 GRIN2B (0.43) USP19
SCHEMBL21246352 0.79 GRIN2B (0.43) USP19
SCHEMBL21246359 0.79 SLC1A2 (0.51) HPGD
SCHEMBL21246335 0.77 USP19 (0.32) USP19

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
WO-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed