SCHEMBL30801694

SCHEMBL30801694

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.39
OPRL1 P41146 15/20 0.39
TACR1 P25103 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL30801703 0.84 OPRM1 (0.42) OPRM1OPRL1TACR1MEN1ALDH1A1
SCHEMBL19853782 0.72 RIPK1 (0.51) OPRM1OPRL1MEN1KMT2ARIPK1
SCHEMBL30801687 0.72 GAA (0.40) OPRM1OPRL1MEN1ALDH1A1KMT2A
SCHEMBL19853779 0.71 GAA (0.51) OPRM1OPRL1MEN1ALDH1A1KMT2A
SCHEMBL19839342 0.70 RIPK1 (0.46) OPRM1OPRL1MEN1KMT2ARIPK1
SCHEMBL19853780 0.70 MEN1 (0.46) OPRM1OPRL1MEN1KMT2ARIPK1
SCHEMBL15937047 0.66 OPRM1 (0.55) OPRM1OPRL1MEN1ALDH1A1KMT2A
SCHEMBL15937082 0.66 OPRM1 (0.55) OPRM1OPRL1MEN1ALDH1A1KMT2A
SCHEMBL30801697 0.66 HDAC1 (0.45) OPRM1OPRL1ALDH1A1RIPK1
SCHEMBL15491788 0.66 GAA (0.53) MEN1ALDH1A1KMT2ASIGMAR1

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