SCHEMBL3837261

SCHEMBL3837261

COC(=O)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 19/20 0.76
CYP3A4 P08684 2/20 0.58
CPB1 P15086 1/20 0.58

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
SCHEMBL3212304 1.00 CPB2 (0.76) CPB2CYP3A4CPB1
SCHEMBL27759896 1.00 CPB2 (0.76) CPB2CYP3A4CPB1
SCHEMBL3201933 0.87 CPB2 (0.77) CPB2CYP3A4CPB1
SCHEMBL3214357 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL8173441 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL27759890 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3192754 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3202734 0.84 CPB2 (0.77) CPB2CYP3A4CPB1
SCHEMBL3202714 0.84 CPB2 (0.77) CPB2CYP3A4CPB1
SCHEMBL3206076 0.84 CPB2 (0.73) CPB2CYP3A4CPB1

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-2104497-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP claimed
WO-2008067909-A2 UREA AND SULFAMIDE DERIVATIVES AS TAFIA INHIBITORS SANOFI-AVENTIS (FR) 2008-06-12 WO claimed