SCHEMBL29348981

SCHEMBL29348981

O=C1CCC(c2cccc(-c3ccc(-n4cccc(C=C(F)F)c4=O)cc3)c2Cl)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.42
DDB1 Q16531 14/20 0.42
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL31068296 1.00 CRBN (0.42) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348444 0.85 DDB1 (0.47) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348452 0.83 DDB1 (0.44) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348627 0.82 DDB1 (0.42) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348198 0.81 DDB1 (0.45) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348202 0.81 DDB1 (0.45) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348199 0.81 DDB1 (0.45) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31068338 0.81 DDB1 (0.42) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348982 0.81 DDB1 (0.42) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29348470 0.79 DDB1 (0.42) CRBNDDB1ALDH1A1CHRM2OPRM1

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