SCHEMBL7897983

SCHEMBL7897983

COc1ccc2[nH]c(C3CCCN(C(=O)OC(C)(C)C)C3)c(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.53
MAPKAPK5 Q8IW41 2/20 0.53
KMT2A Q03164 3/20 0.52
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
MAPKAPK3 Q16644 1/20 0.48
BRD3 Q15059 2/20 0.46
PDE4B Q07343 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PROKR1 Q8TCW9 2/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL29993652 0.84 GPR119 (0.46) KMT2ABRD3PDE4BMEN1ALDH1A1
SCHEMBL23704259 0.84 GPR119 (0.46) KMT2ABRD3PDE4BMEN1ALDH1A1
SCHEMBL28864942 0.84 GPR119 (0.46) KMT2ABRD3PDE4BMEN1ALDH1A1
SCHEMBL7893351 0.84 PROKR1 (0.55) BRD3PROKR1
SCHEMBL18440796 0.82 MTNR1A (0.76) MTNR1AMTNR1BALDH1A1
SCHEMBL28782629 0.77 PDE4B (0.54) KMT2AMTNR1AMTNR1BPDE4BHTT
SCHEMBL21359263 0.76 BCL9 (0.60) KMT2APDE4BMEN1ALDH1A1PROKR1
SCHEMBL7901095 0.75 HPGDS (0.46) BRD3PROKR1
SCHEMBL7892876 0.75 STS (0.46) KMT2AMEN1ALDH1A1PROKR1
SCHEMBL15649592 0.75 PDE4B (0.54) KMT2APDE4BHTTMEN1ALDH1A1

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed