SCHEMBL31184778

SCHEMBL31184778

COc1cc(NC(=O)C2(C)CCC(N3Cc4c(C)cccc4C3=O)CC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ GSPT1 P15170 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ GRM1 Q13255 3/20 0.38
▸ GRM4 Q14833 3/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MET P08581 1/20 0.34

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
SCHEMBL31184643 0.87 PARP1 (0.37) MAPTPOLBGRM4PARP1CNR1
SCHEMBL31184638 0.87 PARP1 (0.37) MAPTPOLBGRM4PARP1CNR1
SCHEMBL31184972 0.84 POLB (0.44) MAPTPOLBLMNA
SCHEMBL31184672 0.83 MAPT (0.36) MAPTGRM4PARP1CNR1CNR2
SCHEMBL31185021 0.80 MAPT (0.36) MAPTPOLBPARP1CNR1CNR2
SCHEMBL31184475 0.79 POLB (0.49) MAPTPOLBLMNA
SCHEMBL31184973 0.79 POLB (0.44) MAPTPOLBHTR2C
SCHEMBL31184761 0.78 MAPT (0.43) MAPTPOLBLMNA
SCHEMBL31184451 0.77 GRM4 (0.44) MAPTPOLBGRM4CNR1CNR2
SCHEMBL31184640 0.77 POLB (0.45) MAPTPOLBHTR2CLMNA

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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