SCHEMBL6172227

SCHEMBL6172227

Cc1cccc(CC[C@H]([C@H](C)OCc2ccccc2)n2cnc(C(N)=O)c2)c1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 14/20 0.55
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
PTGER1 P34995 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
SCHEMBL6171150 0.94 ADA (0.55) ADA
SCHEMBL6169449 0.90 ADA (0.60) ADA
SCHEMBL6173047 0.87 ADA (0.73) ADA
SCHEMBL6169932 0.87 ADA (0.73) ADA
SCHEMBL6169583 0.87 ADA (0.73) ADA
SCHEMBL6171253 0.87 ADA (0.61) ADAPTGER1
SCHEMBL6172584 0.86 ADA (0.72) ADAPTGER1
SCHEMBL6173995 0.86 ADA (0.53) ADA
SCHEMBL6173054 0.85 ADA (0.52) ADA
SCHEMBL6133320 0.85 ADA (0.52) ADA

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-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