SCHEMBL8265488

SCHEMBL8265488

Cc1cccc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cccc(OCCOc3ccccc3)c2)C2CC2)c1C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.73
CYP3A4 P08684 11/20 0.73
KCNH2 Q12809 2/20 0.59

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
SCHEMBL8264313 0.94 REN (0.69) RENCYP3A4KCNH2
SCHEMBL8263845 0.87 REN (0.61) RENCYP3A4KCNH2
SCHEMBL8263665 0.86 REN (0.60) RENCYP3A4KCNH2
SCHEMBL8265242 0.86 REN (0.59) RENCYP3A4KCNH2
SCHEMBL8265085 0.85 REN (0.57) RENCYP3A4KCNH2
SCHEMBL8263738 0.85 REN (0.63) RENCYP3A4KCNH2
SCHEMBL8265483 0.85 REN (0.56) RENCYP3A4KCNH2
SCHEMBL8263835 0.85 REN (0.59) RENCYP3A4KCNH2
SCHEMBL8263684 0.84 REN (0.64) RENCYP3A4KCNH2
SCHEMBL3091547 0.84 REN (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed