SCHEMBL5507277

SCHEMBL5507277

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)[C@H](C(N)=O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
THRB P10828 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
EDNRB P24530 2/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL5503959 0.94 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2923548 0.91 TMEM97 (0.35) RENSIRT2SIRT1THRBALDH1A1
SCHEMBL4958115 0.89 REN (0.35) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL4646776 0.88 REN (0.34) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2916067 0.86 TMEM97 (0.36) RENTHRBALDH1A1
SCHEMBL2921502 0.86 TMEM97 (0.36) RENTHRBALDH1A1
SCHEMBL3903011 0.86 REN (0.36) REN
SCHEMBL4145756 0.85 REN (0.38) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2919377 0.84 REN (0.37) RENSIRT2SIRT1THRBCYP3A4
SCHEMBL2921899 0.84 TP53 (0.37) RENTHRBCYP3A4CYP2C19ALDH1A1

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-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed