Sugi Predict

Sugi Predict / Compounds / SCHEMBL14404283

SCHEMBL14404283

SCHEMBL14404283

CN[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]([C@@](O)(CCCN(C)C(=O)OC)c3cccc(F)c3-c3cccc(OC)c3)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.57
▸ CYP3A4 P08684 4/20 0.57

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
SCHEMBL2882109 0.89 REN (0.72) RENCYP3A4
SCHEMBL2882105 0.89 REN (0.72) RENCYP3A4
SCHEMBL2850972 0.89 REN (0.72) RENCYP3A4
SCHEMBL13320842 0.89 REN (0.72) RENCYP3A4
SCHEMBL2847534 0.88 REN (0.66) RENCYP3A4
SCHEMBL2847537 0.88 REN (0.66) RENCYP3A4
SCHEMBL8164885 0.84 REN (0.52) RENCYP3A4
SCHEMBL8158525 0.84 REN (0.54) RENCYP3A4
SCHEMBL2848099 0.81 REN (0.84) RENCYP3A4
SCHEMBL13320848 0.81 REN (0.84) 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-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed