SCHEMBL5593595

SCHEMBL5593595

Cc1cccc(-c2c(Cl)cccc2[C@](O)(CCCN)[C@@H]2CCCN(C(C)(C)C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CYP3A4 P08684 5/20 0.46

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
SCHEMBL5599163 0.86 REN (0.64) RENCYP3A4
SCHEMBL2846562 0.86 REN (0.64) RENCYP3A4
SCHEMBL3561103 0.84 REN (0.62) RENCYP3A4
SCHEMBL3561106 0.84 REN (0.62) RENCYP3A4
SCHEMBL8161123 0.84 REN (0.62) RENCYP3A4
SCHEMBL8140784 0.84 REN (0.62) RENCYP3A4
SCHEMBL4970928 0.77 REN (0.46) REN
SCHEMBL2847131 0.76 REN (0.65) RENCYP3A4
SCHEMBL4294601 0.76 REN (0.65) RENCYP3A4
SCHEMBL3110107 0.76 REN (0.64) 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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed