SCHEMBL30801696

SCHEMBL30801696

C[C@@H](OCc1ccccc1)[C@@H](C(=O)OCc1ccccc1)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
YAP1 P46937 1/20 0.36
STS P08842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 2/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL27336109 0.90 USP30 (0.45) USP30MEN1KMT2AMAPTGPR119
SCHEMBL28838755 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL29053811 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL23342653 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL23342654 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL23342651 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL28838753 0.86 USP30 (0.47) USP30MEN1KMT2AMAPTGPR119
SCHEMBL20293883 0.83 GRIN2B (0.57) MEN1KMT2AMAPTGRIN2BGRIN2C
SCHEMBL17352433 0.83 GRIN2B (0.57) MEN1KMT2AMAPTGRIN2BGRIN2C
SCHEMBL19627469 0.83 GRIN2B (0.57) MEN1KMT2AMAPTGRIN2BGRIN2C

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