SCHEMBL1911486

SCHEMBL1911486

CCOCC(CC(C)C)NC(=O)[C@H]1C[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.41
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL89994 1.00 REN (0.41) RENKCNH2MAPK1NR1H2KMT2A
SCHEMBL90236 0.91 REN (0.40) RENKCNH2MAPK1NR1H2GAA
SCHEMBL89416 0.90 NR1H2 (0.41) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL89070 0.87 NR1H2 (0.41) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL21641579 0.83 NR1H2 (0.42) NR1H2KMT2A
SCHEMBL89314 0.81 NR1H2 (0.40) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL90387 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL89075 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL90735 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL88882 0.78 NR1H2 (0.41) RENMAPK1NR1H2KMT2AGAA

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