SCHEMBL24758804

SCHEMBL24758804

CN1CCN(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3O)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.48
▸ DDB1 Q16531 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL20075947 0.89 CRBN (0.47) CRBNDDB1ALDH1A1LMNAHTT
SCHEMBL22297292 0.89 CRBN (0.47) CRBNDDB1ALDH1A1LMNAHTT
SCHEMBL20463181 0.88 CRBN (0.41) CRBNDDB1ESR1
SCHEMBL22520771 0.85 DDB1 (0.54) CRBNDDB1ALDH1A1LMNA
SCHEMBL27370432 0.82 CRBN (0.37) CRBNDDB1ESR1
SCHEMBL24294674 0.82 CRBN (0.45) CRBNDDB1ALDH1A1
SCHEMBL20323937 0.82 CRBN (0.45) CRBNDDB1ALDH1A1
SCHEMBL23712164 0.82 CRBN (0.47) CRBNDDB1ALDH1A1LMNAHTT
SCHEMBL22454336 0.82 CRBN (0.39) CRBNDDB1ALDH1A1
SCHEMBL25771919 0.81 CRBN (0.46) CRBNDDB1ALDH1A1

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-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 — — WO disclosed
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