SCHEMBL30801703

SCHEMBL30801703

COc1ccc(CN2CC3(CCCN(C(COCc4ccccc4)C(N)=O)C3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRL1 P41146 7/20 0.42
TACR1 P25103 1/20 0.41
RIPK1 Q13546 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL30801687 0.86 GAA (0.40) OPRM1OPRL1RIPK1SIRT2SIRT1
SCHEMBL30801694 0.84 OPRM1 (0.39) OPRM1OPRL1TACR1RIPK1ALDH1A1
SCHEMBL19853782 0.72 RIPK1 (0.51) OPRM1OPRL1RIPK1MEN1KMT2A
SCHEMBL19853779 0.70 GAA (0.51) OPRM1OPRL1RIPK1ALDH1A1MEN1
SCHEMBL19839342 0.70 RIPK1 (0.46) OPRM1OPRL1RIPK1MEN1KMT2A
SCHEMBL19853780 0.69 MEN1 (0.46) OPRM1OPRL1RIPK1MEN1KMT2A
SCHEMBL15937047 0.69 OPRM1 (0.55) OPRM1OPRL1CYP3A4CYP2D6ALDH1A1
SCHEMBL15937082 0.69 OPRM1 (0.55) OPRM1OPRL1CYP3A4CYP2D6ALDH1A1
SCHEMBL30801697 0.69 HDAC1 (0.45) OPRM1OPRL1RIPK1CYP3A4CYP2D6
SCHEMBL19839346 0.66 GAA (0.48) OPRM1OPRL1RIPK1CYP3A4ALDH1A1

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