SCHEMBL6172807

SCHEMBL6172807

C[C@H](OCc1ccccc1)[C@@H](O)CCc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.46
SIGMAR1 Q99720 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RCE1 Q9Y256 1/20 0.40
TACR1 P25103 2/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL6173226 0.85 RCE1 (0.48) CYP1A2HTR2AHTR2BRCE1BCHE
SCHEMBL6173727 0.80 KMT2A (0.46) SIGMAR1SLC1A3SLC1A2SLC1A1RCE1
SCHEMBL6173917 0.80 KMT2A (0.46) SIGMAR1SLC1A3SLC1A2SLC1A1RCE1
SCHEMBL6170362 0.80 KMT2A (0.46) SIGMAR1SLC1A3SLC1A2SLC1A1RCE1
SCHEMBL6134460 0.78 MTNR1A (0.37) SIGMAR1CYP1A2RCE1
SCHEMBL6171131 0.78 RCE1 (0.42) RCE1BCHE
SCHEMBL6173347 0.77 RCE1 (0.49) SIGMAR1RCE1
SCHEMBL7461608 0.77 RCE1 (0.49) SIGMAR1RCE1
SCHEMBL6173227 0.77 SLC6A2 (0.49) RCE1
SCHEMBL6940893 0.76 RCE1 (0.48) SLC1A3SLC1A2SLC1A1CYP1A2RCE1

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 5 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-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed