SCHEMBL21998134

SCHEMBL21998134

CCCCOC(=O)N1CCC(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.48
DDB1 Q16531 12/20 0.48
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL29612778 0.84 CRBN (0.43) CRBNDDB1KMT2AMEN1POLB
SCHEMBL30225550 0.84 CRBN (0.43) CRBNDDB1KMT2AMEN1POLB
SCHEMBL21071066 0.84 DDB1 (0.52) CRBNDDB1KDM4E
SCHEMBL30733874 0.84 CRBN (0.42) CRBNDDB1CHRM2CHRM4CHRM5
SCHEMBL21997875 0.83 CRBN (0.45) CRBNDDB1KMT2AMEN1
SCHEMBL21071248 0.83 DDB1 (0.48) CRBNDDB1
SCHEMBL26634850 0.81 DDB1 (0.50) CRBNDDB1ALDH1A1HPGD
SCHEMBL31323754 0.81 DDB1 (0.50) CRBNDDB1ALDH1A1HPGD
SCHEMBL31323706 0.81 DDB1 (0.52) CRBNDDB1
SCHEMBL24873004 0.81 CRBN (0.63) CRBNDDB1ALDH1A1CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed