SCHEMBL6172230

SCHEMBL6172230

Cc1cccc(CCC[C@@H](Cn2cnc(C(N)=O)c2)OCc2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.42
PTGER4 P35408 4/20 0.39
PTGER3 P43115 4/20 0.39
PTGER2 P43116 4/20 0.39
LPAR1 Q92633 1/20 0.38
PTGER1 P34995 3/20 0.38
KLKB1 P03952 1/20 0.33
TBXAS1 P24557 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
SCHEMBL6171160 0.94 ADA (0.44) ADAPTGER4PTGER3PTGER2LPAR1
SCHEMBL6169457 0.87 ADA (0.49) ADALPAR1TBXAS1
SCHEMBL6169584 0.86 ADA (0.52) ADA
SCHEMBL6173997 0.86 ADA (0.42) ADAPTGER4PTGER3PTGER2LPAR1
SCHEMBL6171261 0.86 ADA (0.44) ADALPAR1PTGER1
SCHEMBL6133321 0.86 ADA (0.42) ADAPTGER4PTGER3PTGER2LPAR1
SCHEMBL6172589 0.86 ADA (0.49) ADALPAR1PTGER1
SCHEMBL6170057 0.84 ADA (0.51) ADA
SCHEMBL6173056 0.84 ADA (0.44) ADAPTGER4PTGER3PTGER2LPAR1
SCHEMBL6172528 0.84 ADA (0.42) ADALPAR1

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