SCHEMBL8229873

SCHEMBL8229873

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)C3CNC[C@@H](C(=O)NC4(c5ccccc5)CCNCC4)C3)C3CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.51
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL89586 0.97 REN (0.53) RENALDH1A1POLBKCNH2MEN1
SCHEMBL89598 0.96 REN (0.52) RENALDH1A1POLB
SCHEMBL8229874 0.96 REN (0.52) RENALDH1A1POLB
SCHEMBL1911371 0.94 REN (0.54) RENALDH1A1POLBKCNH2
SCHEMBL89960 0.94 REN (0.54) RENALDH1A1POLBKCNH2
SCHEMBL90121 0.93 REN (0.52) RENALDH1A1KCNH2
SCHEMBL1911401 0.92 REN (0.51) RENALDH1A1KCNH2
SCHEMBL90038 0.92 REN (0.51) RENALDH1A1KCNH2
SCHEMBL90101 0.91 REN (0.55) RENALDH1A1POLBCYP3A4KCNH2
SCHEMBL10283288 0.90 REN (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed