SCHEMBL1911552

SCHEMBL1911552

COCCCOc1cc(CN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.63
PDE4B Q07343 3/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
BCL9 O00512 6/20 0.40
CTNNB1 P35222 6/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL1911420 0.89 REN (0.49) RENPDE4BLMNAMEN1KMT2A
SCHEMBL13131884 0.85 REN (0.64) RENPDE4BNR1H4
SCHEMBL2810181 0.85 REN (0.64) RENPDE4BNR1H4
SCHEMBL13448644 0.83 REN (0.42) RENMEN1KMT2AALDH1A1BCL9
SCHEMBL89732 0.82 REN (0.53) RENPDE4BMEN1KMT2AALDH1A1
SCHEMBL2808955 0.82 REN (0.57) RENPDE4BNR1H4
SCHEMBL13132227 0.82 REN (0.57) RENPDE4BNR1H4
SCHEMBL13132505 0.82 REN (0.57) RENPDE4BNR1H4
SCHEMBL89310 0.80 REN (0.51) RENPDE4BLMNAALDH1A1
SCHEMBL2814031 0.80 REN (0.64) RENLMNAMEN1KMT2ANR1H4

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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed