SCHEMBL29348489

SCHEMBL29348489

C[C@H]1COCC(=O)N1Cc1ccc(-c2cccc(C3CCC(=O)NC3O)c2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.33
PDCD1 Q15116 1/20 0.33
GRM2 Q14416 3/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
P2RX7 Q99572 2/20 0.32
CNR2 P34972 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL29348519 0.88 HCRTR2 (0.38) CD274PDCD1GRM2PDCD1LG2HCRTR1
SCHEMBL29348513 0.79 GRM2 (0.37) CD274PDCD1GRM2PDCD1LG2HCRTR1
SCHEMBL29348776 0.77 CNR2 (0.32) CNR2
SCHEMBL29348603 0.77 GRM2 (0.35) CD274PDCD1GRM2PDCD1LG2
SCHEMBL29348345 0.74 CD274 (0.34) CD274PDCD1PDCD1LG2
SCHEMBL29348526 0.73 ROCK2 (0.35) CD274PDCD1LG2CNR2
SCHEMBL29348413 0.73 CD274 (0.37) CD274PDCD1PDCD1LG2
SCHEMBL29348360 0.72 PDCD1LG2 (0.39) CD274PDCD1LG2
SCHEMBL29348769 0.71 F10 (0.36)
SCHEMBL29348448 0.71 FFAR2 (0.34)

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed