SCHEMBL5294202

SCHEMBL5294202

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)CC(OCCOS(=O)(=O)c4ccc(C)cc4)C3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
CYP2C9 P11712 1/20 0.34
RORC P51449 7/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 2/20 0.31
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2684746 1.00 REN (0.34) RENCYP2C9RORCPOLBKMT2A
SCHEMBL3906126 0.90 RORC (0.34) RENCYP2C9RORCPOLBKMT2A
SCHEMBL2682327 0.88 REN (0.38) RENRORC
SCHEMBL2683779 0.88 LMNA (0.38) RENCYP2C9RORCPOLBKMT2A
SCHEMBL1040446 0.87 REN (0.36) RENRORC
SCHEMBL1040445 0.87 REN (0.36) RENRORC
SCHEMBL3908996 0.87 THRB (0.35) RENCYP2C9RORCPOLBLMNA
SCHEMBL2684381 0.86 REN (0.38) RENRORC
SCHEMBL5282595 0.86 REN (0.38) RENRORC
SCHEMBL2683065 0.86 REN (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed