SCHEMBL5148591

SCHEMBL5148591

COc1cccc(CN(CCCc2ccccc2NC(=O)OCc2cncs2)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.69

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
SCHEMBL272663 0.88 CYP3A4 (0.88) CYP3A4
SCHEMBL272237 0.81 CYP3A4 (0.76) CYP3A4
SCHEMBL272662 0.79 CYP3A4 (0.73) CYP3A4
SCHEMBL2974491 0.78 CYP3A4 (0.71) CYP3A4
SCHEMBL271125 0.78 CYP3A4 (0.84) CYP3A4
SCHEMBL271852 0.78 CYP3A4 (0.84) CYP3A4
SCHEMBL271851 0.78 CYP3A4 (0.84) CYP3A4
SCHEMBL273373 0.77 CYP3A4 (0.70) CYP3A4
SCHEMBL273372 0.77 CYP3A4 (0.70) CYP3A4
SCHEMBL272244 0.77 CYP3A4 (0.67) 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-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP claimed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO claimed