SCHEMBL6168397

SCHEMBL6168397

C[C@H](O)[C@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 1.00

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
SCHEMBL6172027 1.00 ADA (1.00) ADA
SCHEMBL6174229 0.94 ADA (0.88) ADA
SCHEMBL6133741 0.88 ADA (0.79) ADA
SCHEMBL6133236 0.88 ADA (0.79) ADA
SCHEMBL6171724 0.88 ADA (0.79) ADA
SCHEMBL7661722 0.88 ADA (0.78) ADA
SCHEMBL7664367 0.88 ADA (0.78) ADA
Acetic Acid SCHEMBL7671466 0.86 ADA (0.75) ADA
SCHEMBL6134586 0.86 ADA (0.75) ADA
SCHEMBL6174704 0.86 ADA (0.75) 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