SCHEMBL18799545

SCHEMBL18799545

C=CC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.88

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
SCHEMBL8348406 1.00 CYP3A4 (0.88) CYP3A4
SCHEMBL12773061 1.00 CYP3A4 (0.88) CYP3A4
SCHEMBL8350299 0.99 CYP3A4 (0.88) CYP3A4
SCHEMBL12773056 0.99 CYP3A4 (0.88) CYP3A4
SCHEMBL12054672 0.98 CYP3A4 (0.85) CYP3A4
SCHEMBL16380548 0.98 CYP3A4 (0.85) CYP3A4
SCHEMBL12053589 0.95 CYP3A4 (0.92) CYP3A4
SCHEMBL12055095 0.94 CYP3A4 (0.96) CYP3A4
SCHEMBL16380547 0.94 CYP3A4 (0.96) CYP3A4
SCHEMBL23633748 0.93 CYP3A4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed