SCHEMBL4749336

SCHEMBL4749336

[CH2]CC[C@@](O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)N2CCC(CN)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.61
CYP3A4 P08684 4/20 0.60

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
SCHEMBL2843894 0.89 REN (0.63) RENCYP3A4
SCHEMBL2847999 0.89 REN (0.70) RENCYP3A4
SCHEMBL2848456 0.89 REN (0.70) RENCYP3A4
SCHEMBL2848453 0.89 REN (0.70) RENCYP3A4
SCHEMBL3636776 0.88 REN (0.76) RENCYP3A4
SCHEMBL2847930 0.88 REN (0.81) RENCYP3A4
SCHEMBL2847932 0.88 REN (0.81) RENCYP3A4
SCHEMBL13320895 0.88 REN (0.81) RENCYP3A4
SCHEMBL3773822 0.87 REN (0.63) RENCYP3A4
SCHEMBL3636707 0.87 REN (0.63) RENCYP3A4

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-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed