SCHEMBL30801725

SCHEMBL30801725

CC(C)(C)OC(=O)N1CCC2(CC1)CN([C@@H](CO)C(N)=O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GPR119 Q8TDV5 6/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL30801658 0.88 GRIN2B (0.44) USP30GRIN2BGRIN2C
SCHEMBL30801701 0.88 USP30 (0.40) USP30GRIN2BGRIN2CGPR119HDAC1
SCHEMBL30801731 0.84 USP30 (0.38) USP30GRIN2BGRIN2CGPR119HDAC1
SCHEMBL27336111 0.81 GRIN2B (0.63) USP30GRIN2BGRIN2CGPR119HDAC1
SCHEMBL30801707 0.80 USP30 (0.45) USP30GPR119HDAC1HDAC8HDAC6
SCHEMBL19851172 0.80 GRIN2B (0.45) USP30GRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL19853723 0.79 JAK2 (0.37)
SCHEMBL20804212 0.77 GRIN2B (0.70) GRIN2BGRIN2C
SCHEMBL30801667 0.77 USP30 (0.43) USP30GRIN2BGRIN2CDDB1CRBN
SCHEMBL17712353 0.77 GRIN2B (0.70) GRIN2BGRIN2C

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