SCHEMBL7450783

SCHEMBL7450783

C[C@H](OCc1ccccc1)[C@H](CCc1cccc(Cl)c1Cl)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.44
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
PTGER1 P34995 1/20 0.33
KMT2A Q03164 1/20 0.32
SLC16A3 O15427 2/20 0.31
SLC16A1 P53985 2/20 0.31
PARP1 P09874 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CYP3A4 P08684 1/20 0.31
CD38 P28907 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ADRB1 P08588 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL7448884 0.94 SLC6A2 (0.38) ADAPTGER1SLC16A3SLC16A1SLC6A2
SCHEMBL7448692 0.88 ADA (0.38) ADAKMT2APARP1HTR1ASLC6A2
SCHEMBL7449547 0.87 ADA (0.45) ADAKMT2A
SCHEMBL7457345 0.87 ADA (0.45) ADAKMT2A
SCHEMBL7452297 0.87 DAO (0.35) ADAPTGER1KMT2AADRB1
SCHEMBL7827666 0.85 NR3C2 (0.39) TAAR1
SCHEMBL7449456 0.83 ADA (0.55) ADAHTR1ADRD2HTR2AHTR7
SCHEMBL7453359 0.83 PDE4A (0.37) ADAKMT2APARP1ADRB1PPARG
SCHEMBL7449720 0.82 SLC1A3 (0.35) ADAKMT2APARP1ADRB1
SCHEMBL7457097 0.80 KMT2A (0.41) ADAKMT2A

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-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed