SCHEMBL12808400

SCHEMBL12808400

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCOCCC[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL3799932 0.95 DDB1 (0.32) DDB1CRBN
SCHEMBL13563487 0.94 DDB1 (0.32) DDB1CRBN
SCHEMBL3788175 0.92 DDB1 (0.32) DDB1CRBN
SCHEMBL13563489 0.91 DDB1 (0.31) DDB1CRBN
SCHEMBL11983950 0.91 DDB1 (0.33) DDB1CRBN
SCHEMBL11975889 0.91 DDB1 (0.33) DDB1CRBN
SCHEMBL13059149 0.91 DDB1 (0.33) DDB1CRBN
SCHEMBL13563493 0.91 DDB1 (0.31) DDB1CRBN
SCHEMBL3796413 0.91 DDB1 (0.31) DDB1CRBN
SCHEMBL11976188 0.89 CYP3A4 (0.32) DDB1CRBN

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
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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