SCHEMBL7900800

SCHEMBL7900800

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(NCCO)nc4)cc3)NC(=O)OC(C)(C)C)C2)c(C)c2cccc(F)c21

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
REN P00797 3/20 0.30
CYP3A4 P08684 2/20 0.30
KLK5 Q9Y337 1/20 0.30

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
SCHEMBL7898811 1.00 ALOX5AP (0.30) ALOX5APFEN1RENCYP3A4KLK5
SCHEMBL2790767 0.93 MAPK1 (0.31)
SCHEMBL2789843 0.93 MAPK1 (0.31)
SCHEMBL7897503 0.90 SCN9A (0.32) ALOX5APFEN1RENCYP3A4KLK5
SCHEMBL2789767 0.89 DPP4 (0.34) RENCYP3A4
SCHEMBL2789770 0.89 DPP4 (0.34) RENCYP3A4
SCHEMBL2791634 0.89 DPP4 (0.34) RENCYP3A4
SCHEMBL2789049 0.89 DPP4 (0.34) RENCYP3A4
SCHEMBL2813838 0.86 KLK5 (0.36) ALOX5APFEN1RENCYP3A4KLK5
SCHEMBL7905913 0.86 CACNA1B (0.35) RENCYP3A4KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed