SCHEMBL8236074

SCHEMBL8236074

CCCCC(CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.68
KCNH2 Q12809 5/20 0.46
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8236807 0.97 REN (0.68) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL90376 0.96 REN (0.69) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL90323 0.96 REN (0.69) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL90363 0.96 REN (0.65) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL89730 0.95 REN (0.70) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL90037 0.94 REN (0.72) RENKCNH2
SCHEMBL90053 0.94 REN (0.72) RENKCNH2
SCHEMBL89140 0.94 REN (0.72) RENKCNH2
SCHEMBL90217 0.94 REN (0.72) RENKCNH2
SCHEMBL90458 0.93 REN (0.68) RENKCNH2MEN1ALDH1A1KMT2A

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