Sugi Predict

Sugi Predict / Compounds / SCHEMBL8290294

SCHEMBL8290294

SCHEMBL8290294

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.68

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
SCHEMBL8285634 1.00 CYP3A4 (0.68) CYP3A4
SCHEMBL5969701 0.93 CYP3A4 (0.79) CYP3A4
SCHEMBL8287299 0.93 CYP3A4 (0.79) CYP3A4
SCHEMBL16470987 0.93 CYP3A4 (0.70) CYP3A4
SCHEMBL16470979 0.92 CYP3A4 (0.57) CYP3A4
SCHEMBL16470928 0.92 CYP3A4 (0.60) CYP3A4
SCHEMBL16470941 0.92 CYP3A4 (0.58) CYP3A4
SCHEMBL8290303 0.90 CYP3A4 (0.54) CYP3A4
SCHEMBL8286790 0.90 CYP3A4 (0.57) CYP3A4
SCHEMBL12773313 0.89 CYP3A4 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684787-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-16 — — EP disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 — — WO disclosed