SCHEMBL8204415

SCHEMBL8204415

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44

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
SCHEMBL12811747 1.00 CYP3A4 (0.44) CYP3A4
SCHEMBL8161389 0.90 CMA1 (0.47)
SCHEMBL8140310 0.89
SCHEMBL19312042 0.89 CYP3A4 (0.44) CYP3A4
SCHEMBL8388271 0.89 CYP3A4 (0.41) CYP3A4
SCHEMBL12336674 0.88 CYP3A4 (0.49) CYP3A4
SCHEMBL8130769 0.87
SCHEMBL8139992 0.87
SCHEMBL8126617 0.87
SCHEMBL8137060 0.87

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-1505963-B9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP disclosed
EP-1505963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-20 EP disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed