SCHEMBL29348582

SCHEMBL29348582

O=C1CCC(c2cccc(-c3cnc(N4C(=O)CCC45CCC5)c(F)c3)c2Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 15/20 0.37
CRBN Q96SW2 15/20 0.37
OPRM1 P35372 2/20 0.33
OPRL1 P41146 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
IKZF3 Q9UKT9 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL31068144 1.00 DDB1 (0.37) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL29348581 0.97 DDB1 (0.38) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL31068230 0.97 DDB1 (0.38) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL29348867 0.95 DDB1 (0.37) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL31068275 0.84 CNR2 (0.41) DDB1CRBNCNR2
SCHEMBL29348607 0.84 CNR2 (0.41) DDB1CRBNCNR2
SCHEMBL29348585 0.83 CNR2 (0.40) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL31068362 0.83 CNR2 (0.40) DDB1CRBNOPRM1OPRL1PDCD1LG2
SCHEMBL29348869 0.82 PDCD1LG2 (0.34) OPRM1OPRL1PDCD1LG2CD274CNR2
SCHEMBL29348664 0.81 DDB1 (0.40) DDB1CRBNOPRM1ALDH1A1CHRM2

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