SCHEMBL1911366

SCHEMBL1911366

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL10283497 0.93 KMT2A (0.42) RENKMT2AMEN1HPGDNPSR1
SCHEMBL89057 0.90 REN (0.43) RENKMT2AMEN1HPGDNPSR1
SCHEMBL1911381 0.90 KMT2A (0.40) RENKMT2AMEN1HPGDNPSR1
SCHEMBL2084329 0.88 REN (0.42) RENKMT2AMEN1HPGDNPSR1
SCHEMBL90060 0.87 REN (0.48) RENKMT2AMEN1POLBALDH1A1
SCHEMBL89822 0.87 REN (0.44) RENKMT2AMEN1HPGDNPSR1
SCHEMBL1911409 0.87 REN (0.44) RENKMT2AMEN1HPGDNPSR1
SCHEMBL8236774 0.87 REN (0.43) RENKMT2AMEN1HPGDPOLB
SCHEMBL89215 0.87 REN (0.43) RENKMT2AMEN1HPGDPOLB
SCHEMBL90216 0.87 REN (0.43) RENKMT2AMEN1HPGDPOLB

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