SCHEMBL14732001

SCHEMBL14732001

NCCCCC(NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC1CC1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 19/20 0.77
CYP3A4 P08684 2/20 0.59
CPB1 P15086 1/20 0.59

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
SCHEMBL3192887 1.00 CPB2 (0.77) CPB2CYP3A4CPB1
SCHEMBL3211133 0.87 CPB2 (0.82) CPB2CYP3A4CPB1
SCHEMBL3211162 0.87 CPB2 (0.82) CPB2CYP3A4CPB1
SCHEMBL3214490 0.87 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3214467 0.87 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3211486 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL27759891 0.86 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3193208 0.85 CPB2 (0.95) CPB2CYP3A4CPB1
SCHEMBL3261853 0.85 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3193237 0.85 CPB2 (0.95) 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
US-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US claimed
CN-101553219-A Urea and sulfamide derivatives as TAFIa inhibitors SANOFI AVENTIS (FR) 2009-10-07 CN claimed