SCHEMBL7448692

SCHEMBL7448692

C[C@H](OCc1ccccc1)C(CCc1ccccc1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.38
ADRB1 P08588 2/20 0.37
PARP1 P09874 1/20 0.36
CYP2D6 P10635 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 2/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL7453359 0.94 PDE4A (0.37) ADAADRB1PARP1CYP2D6SLC1A3
SCHEMBL7452297 0.92 DAO (0.35) ADAADRB1CYP2D6SLC1A3SLC1A2
SCHEMBL7449720 0.91 SLC1A3 (0.35) ADAADRB1PARP1CYP2D6SLC1A3
SCHEMBL7448884 0.91 SLC6A2 (0.38) ADAADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL7449547 0.90 ADA (0.45) ADASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7457345 0.90 ADA (0.45) ADASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7827666 0.90 NR3C2 (0.39) LMNAHPGD
SCHEMBL7450783 0.88 ADA (0.44) ADAADRB1PARP1KMT2AHTR1A
SCHEMBL7548118 0.86 MMP9 (0.32) CYP2D6SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7837956 0.85 ADRB1 (0.42) ADAADRB1PARP1CYP2D6KMT2A

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