SCHEMBL628187

SCHEMBL628187

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
NR1H2 P55055 1/20 0.42
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
NAMPT P43490 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TACR1 P25103 1/20 0.36
RORC P51449 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 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
SCHEMBL89156 1.00 PDE4B (0.50) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL5008891 1.00 PDE4B (0.50) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL16667444 1.00 PDE4B (0.50) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL89513 0.94 PDE4B (0.54) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL8301285 0.89 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL8268416 0.89 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL1759697 0.89 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL13595122 0.89 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL22160615 0.89 PDE4B (0.53) PDE4BNR1H2USP2SMN1; SMN2EPHX1
SCHEMBL3647203 0.87 PDE4B (0.49) PDE4BNR1H2USP2SMN1; SMN2EPHX1

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-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed