SCHEMBL30801705

SCHEMBL30801705

CC(C)(C)OC(=O)N1CCCC2(C1)CN([C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
TACR1 P25103 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
GHSR Q92847 2/20 0.37
BACE1 P56817 2/20 0.36
STS P08842 1/20 0.36
YAP1 P46937 1/20 0.36
CTSD P07339 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL30801690 0.88 USP30 (0.41) USP30MEN1KMT2AMAPTBACE1
SCHEMBL30801696 0.83 USP30 (0.41) USP30MEN1KMT2AMAPTSTS
SCHEMBL17712395 0.83 GRIN2B (0.51) PPARA
SCHEMBL17712398 0.83 GRIN2B (0.51) PPARA
SCHEMBL19839313 0.82 SLC1A1 (0.38) TACR1
SCHEMBL23342654 0.81 USP30 (0.47) USP30MEN1KMT2AMAPTBACE1
SCHEMBL23342651 0.81 USP30 (0.47) USP30MEN1KMT2AMAPTBACE1
SCHEMBL28838755 0.81 USP30 (0.47) USP30MEN1KMT2AMAPTBACE1
SCHEMBL29053811 0.81 USP30 (0.47) USP30MEN1KMT2AMAPTBACE1
SCHEMBL23342653 0.81 USP30 (0.47) USP30MEN1KMT2AMAPTBACE1

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-2024054919-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (CN) 2024-03-14 WO disclosed