SCHEMBL6171925

SCHEMBL6171925

C[C@H](OCc1ccccc1)[C@@H](O)CCc1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ADA P00813 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
PNMT P11086 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MAPT P10636 1/20 0.34
BCHE P06276 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL6173227 0.91 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3RCE1TAAR1
SCHEMBL6173226 0.83 RCE1 (0.48) SLC6A2SLC6A3RCE1HTTALDH1A1
SCHEMBL6171131 0.81 RCE1 (0.42) RCE1TAAR1HTTALDH1A1MEN1
SCHEMBL6173727 0.81 KMT2A (0.46) RCE1ADAALDH1A1KMT2A
SCHEMBL6173917 0.81 KMT2A (0.46) RCE1ADAALDH1A1KMT2A
SCHEMBL6170362 0.81 KMT2A (0.46) RCE1ADAALDH1A1KMT2A
SCHEMBL6172965 0.81 RCE1 (0.42) RCE1HTTALDH1A1MEN1KMT2A
SCHEMBL6172464 0.79 ABCB1 (0.49) RCE1TAAR1HTTKMT2ALMNA
SCHEMBL6134908 0.79 ATM (0.36) RCE1IDO1HTTMEN1KMT2A
SCHEMBL6134460 0.79 MTNR1A (0.37) RCE1HTTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
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