SCHEMBL30801697

SCHEMBL30801697

COc1ccc(CN2CC3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5423537 0.93 HDAC1 (0.44) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL17761442 0.89 HDAC1 (0.54) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL1963123 0.88 HDAC1 (0.43) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL1960250 0.86 HDAC1 (0.42) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL5423713 0.82 USP30 (0.48) HDAC1HDAC8HDAC6OPRM1OPRL1
SCHEMBL1963140 0.81 AADAT (0.49) ALDH1A1GAAL3MBTL1CYP3A4HPGD
SCHEMBL22087518 0.80 GRIN2B (0.48) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL5426355 0.80 USP30 (0.45) HDAC1HDAC8HDAC6ALDH1A1TP53
SCHEMBL24399159 0.79 ALDH1A1 (0.42) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL12543528 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6LMNAMAPT

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