SCHEMBL8229874

SCHEMBL8229874

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3CNC[C@@H](C(=O)NC4(c5ccccc5)CCCC4)C3)C3CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.52
ALDH1A1 P00352 3/20 0.34
SSTR4 P31391 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL89598 1.00 REN (0.52) RENALDH1A1SSTR4POLBGAA
SCHEMBL89586 0.97 REN (0.53) RENALDH1A1POLB
SCHEMBL8229873 0.96 REN (0.51) RENALDH1A1POLB
SCHEMBL89960 0.95 REN (0.54) RENALDH1A1POLB
SCHEMBL1911371 0.95 REN (0.54) RENALDH1A1POLB
SCHEMBL89080 0.94 REN (0.51) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90121 0.93 REN (0.52) RENALDH1A1GAA
SCHEMBL89648 0.93 REN (0.49) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90038 0.92 REN (0.51) RENALDH1A1
SCHEMBL1911401 0.92 REN (0.51) RENALDH1A1

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-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed