SCHEMBL78437

SCHEMBL78437

CC[C@@H]1C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C(OS(=O)(=O)C(F)(F)F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.42
SLC6A4 P31645 1/20 0.38
CYP3A4 P08684 1/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35

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
SCHEMBL65939 0.90 REN (0.40) RENSLC6A4CYP3A4CTSDCTSE
SCHEMBL65940 0.90 REN (0.40) RENSLC6A4CYP3A4CTSDCTSE
SCHEMBL78744 0.82 REN (0.43) RENSLC6A4CYP3A4
SCHEMBL78425 0.81 REN (0.43) RENCYP3A4CTSDCTSE
SCHEMBL79513 0.80 REN (0.46) RENCYP3A4
SCHEMBL78486 0.77 CYP3A4 (0.54) RENCYP3A4
SCHEMBL78784 0.76 REN (0.61) RENCYP3A4CTSDCTSE
SCHEMBL78462 0.76 CYP3A4 (0.52) RENCYP3A4
SCHEMBL78833 0.75 CYP3A4 (0.61) RENCYP3A4
SCHEMBL78797 0.74 REN (0.52) RENSLC6A4CYP3A4

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed