SCHEMBL24123455

SCHEMBL24123455

O=C(O)CN1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.55
▸ DDB1 Q16531 14/20 0.55
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ IKZF3 Q9UKT9 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ IKZF2 Q9UKS7 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
SCHEMBL29943108 0.88 CRBN (0.49) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL26969623 0.88 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20046732 0.88 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22692278 0.87 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27154316 0.84 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27148228 0.84 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129019 0.84 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29227451 0.84 CRBN (0.59) CRBNIKZF2
SCHEMBL30822343 0.84 CRBN (0.59) CRBNIKZF2
SCHEMBL29614790 0.84 CRBN (0.53) 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
WO-2021255213-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF BRAF F. HOFFMANN-LA ROCHE AG (CH) 2021-12-23 — — WO disclosed
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