SCHEMBL6170939

SCHEMBL6170939

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.45
PTGER1 P34995 4/20 0.45
PTGER4 P35408 3/20 0.45
PTGER3 P43115 3/20 0.45
PTGER2 P43116 3/20 0.45
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MGLL Q99685 1/20 0.40
ABCB1 P08183 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
LPAR1 Q92633 1/20 0.39
ACLY P53396 1/20 0.38
HTT P42858 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL6133437 0.94 PTGER1 (0.42) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133407 0.93 PTGER1 (0.41) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133845 0.92 ADA (0.41) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6134427 0.92 PTGER1 (0.39) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6134584 0.92 SLC1A5 (0.42) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6172343 0.91 ADA (0.47) ADAPTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6133168 0.91 PTGER1 (0.40) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6134115 0.91 PTGER1 (0.39) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133659 0.91 ACLY (0.41) ADAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6133603 0.90 PTGER1 (0.39) ADAPTGER1PTGER4PTGER3PTGER2

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 8 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 claimed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP claimed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US claimed
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP claimed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO claimed
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