SCHEMBL29348697

SCHEMBL29348697

Cn1ccc(CN2C(=O)CCc3cc(-c4cccc(C5CCC(=O)NC5=O)c4Cl)ccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 12/20 0.41
CRBN Q96SW2 12/20 0.41
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CYP1A2 P05177 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CHRM1 P11229 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CALCRL Q16602 1/20 0.32

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
SCHEMBL31068138 1.00 DDB1 (0.41) DDB1CRBNCYP11B1CYP11B2CYP1A2
SCHEMBL29348692 0.94 DDB1 (0.41) DDB1CRBNPDCD1CD274CHRM1
SCHEMBL31068153 0.94 DDB1 (0.41) DDB1CRBNPDCD1CD274CHRM1
SCHEMBL31068157 0.90 DDB1 (0.39) DDB1CRBNPDCD1CD274BRD4
SCHEMBL31068224 0.89 DDB1 (0.45) DDB1CRBNPDCD1CD274BRD4
SCHEMBL29348686 0.89 DDB1 (0.45) DDB1CRBNPDCD1CD274BRD4
SCHEMBL31068233 0.87 DDB1 (0.39) DDB1CRBNPDCD1CD274CHRM1
SCHEMBL29348698 0.87 DDB1 (0.39) DDB1CRBNPDCD1CD274CHRM1
SCHEMBL38664517 0.85 DDB1 (0.39) DDB1CRBNPDCD1CD274
SCHEMBL38665380 0.85 DDB1 (0.41) DDB1CRBNPDCD1CD274CHRM1

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