SCHEMBL7452297

SCHEMBL7452297

Cc1ccccc1CC[C@H](c1nc(C(N)=O)c[nH]1)[C@H](C)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
NR3C2 P08235 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGER1 P34995 2/20 0.33
ADRB1 P08588 1/20 0.33
KCNA5 P22460 1/20 0.33
ADA P00813 3/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7448692 0.92 ADA (0.38) KMT2AMEN1ALDH1A1ADRB1ADA
SCHEMBL7448884 0.89 SLC6A2 (0.38) DAOPTGER1ADRB1ADA
SCHEMBL7449547 0.89 ADA (0.45) KMT2AMEN1ALDH1A1ADAL3MBTL1
SCHEMBL7457345 0.89 ADA (0.45) KMT2AMEN1ALDH1A1ADAL3MBTL1
SCHEMBL7827666 0.89 NR3C2 (0.39) NR3C2PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL7450783 0.87 ADA (0.44) KMT2APTGER1ADRB1ADA
SCHEMBL7453359 0.87 PDE4A (0.37) KMT2AMEN1ADRB1ADAMMP9
SCHEMBL7449720 0.86 SLC1A3 (0.35) KMT2AMEN1ALDH1A1ADRB1ADA
SCHEMBL7457097 0.82 KMT2A (0.41) KMT2AALDH1A1ADAL3MBTL1SLC1A3
SCHEMBL7548118 0.80 MMP9 (0.32) KMT2AMEN1MMP9MMP8SLC1A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed