SCHEMBL30160803

SCHEMBL30160803

O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(c6ccccc6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.65
▸ BTK Q06187 3/20 0.56
▸ AR P10275 3/20 0.56
▸ ESR1 P03372 1/20 0.51
▸ DDB1 Q16531 7/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ IKZF3 Q9UKT9 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ IKZF2 Q9UKS7 2/20 0.49
▸ MAP1LC3B Q9GZQ8 1/20 0.49

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
SCHEMBL31447732 0.89 CRBN (0.80) CRBNBTKARDDB1ALDH1A1
SCHEMBL24421652 0.88 CRBN (0.69) CRBNBTKARDDB1ALDH1A1
SCHEMBL26969669 0.88 CRBN (0.69) CRBNBTKARDDB1ALDH1A1
SCHEMBL30160860 0.88 CRBN (0.74) CRBNBTKARDDB1ALDH1A1
SCHEMBL30692989 0.87 CRBN (0.65) CRBNBTKARESR1DDB1
SCHEMBL26929077 0.87 CRBN (0.65) CRBNBTKARESR1DDB1
SCHEMBL24206867 0.87 CRBN (0.65) CRBNBTKARDDB1ALDH1A1
SCHEMBL29681788 0.87 CRBN (0.65) CRBNBTKARDDB1ALDH1A1
SCHEMBL31447660 0.87 CRBN (0.60) CRBNBTKARDDB1ALDH1A1
SCHEMBL25582073 0.87 BTK (0.66) CRBNBTKARDDB1ALDH1A1

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-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO disclosed
Send feedback