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SCHEMBL12784455

SCHEMBL12784455

C=C1[C@@H](NC(=O)OC(C)(C)C)CCCOC/C=C\[C@@H]2C[C@@]2(C(=O)OCC)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL3793404 0.95 CYP3A4 (0.34) CYP3A4DDB1CRBN
SCHEMBL3793400 0.95 CYP3A4 (0.34) CYP3A4DDB1CRBN
SCHEMBL12784463 0.93 ADRB3 (0.33) CYP3A4DDB1CRBN
SCHEMBL3469691 0.89 ADRB3 (0.32) CYP3A4DDB1CRBN
SCHEMBL3469693 0.89 ADRB3 (0.32) CYP3A4DDB1CRBN
SCHEMBL3793605 0.88 ADRB3 (0.36) CYP3A4DDB1CRBN
SCHEMBL3793601 0.88 ADRB3 (0.36) CYP3A4DDB1CRBN
SCHEMBL11984050 0.88 ADRB3 (0.36) CYP3A4DDB1CRBN
SCHEMBL3787926 0.88 CYP3A4 (0.34) CYP3A4
SCHEMBL3787929 0.88 CYP3A4 (0.34) CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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