SCHEMBL4755380

SCHEMBL4755380

COCCCCC(O)(c1ccccc1Oc1cccc(F)c1)C1CCCN(C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.68
CYP3A4 P08684 1/20 0.48

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
SCHEMBL1863848 1.00 REN (0.68) RENCYP3A4
SCHEMBL3728074 0.92 REN (0.79) REN
SCHEMBL1867948 0.92 REN (0.79) REN
SCHEMBL2846448 0.91 REN (0.64) RENCYP3A4
SCHEMBL1861558 0.91 REN (0.64) RENCYP3A4
SCHEMBL2846452 0.91 REN (0.64) RENCYP3A4
SCHEMBL1861560 0.91 REN (0.64) RENCYP3A4
SCHEMBL5504643 0.89 REN (0.60) RENCYP3A4
SCHEMBL4298773 0.89 REN (0.65) REN
SCHEMBL4292054 0.89 REN (0.65) REN

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-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed