SCHEMBL28532811

SCHEMBL28532811

CC(C)(C)OC(=O)N1CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.59
DDB1 Q16531 15/20 0.55
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
IKZF3 Q9UKT9 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30741717 1.00 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20234459 1.00 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30741712 1.00 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24421626 0.95 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29614519 0.95 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31619116 0.94 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23860257 0.94 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20046281 0.89 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22297514 0.89 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29629059 0.89 CRBN (0.67) 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
CN-112390785-A BET family bromodomain inhibitor ring derivative, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-02-23 CN disclosed