SCHEMBL10201513

SCHEMBL10201513

COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1nc2ccc(C#Cc3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCOCC6)[nH]c54)c3)cc2[nH]1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL12069146 0.95 CYP3A4 (0.47) CYP3A4CYP2C9
SCHEMBL12066918 0.95 CYP3A4 (0.47) CYP3A4CYP2C9
SCHEMBL12373886 0.94
SCHEMBL10200267 0.92
SCHEMBL10201186 0.91
SCHEMBL12069145 0.88 CYP3A4 (0.53) CYP3A4CYP2C9
SCHEMBL10201168 0.87 HCRTR1 (0.35)
SCHEMBL2279198 0.87
SCHEMBL15370105 0.86 CYP3A4 (0.50) CYP3A4CYP2C9
SCHEMBL19388899 0.86 MAPK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed