SCHEMBL6172973

SCHEMBL6172973

COC(=O)C(CCc1cccc(C)c1)n1cnc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.50
NR3C2 P08235 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6172659 0.90 ADA (0.50) ADA
SCHEMBL6172982 0.86 ADA (0.47) ADANR3C2SIRT2
SCHEMBL7670504 0.82 ADA (0.75) ADA
SCHEMBL6170851 0.81 ADA (0.63) ADASMN1; SMN2
SCHEMBL6168422 0.80 ADA (0.68) ADA
SCHEMBL7670511 0.80 ADA (0.50) ADANR3C2
SCHEMBL7656859 0.73 ADA (0.68) ADA
SCHEMBL7452591 0.72 ADA (0.66) ADA
SCHEMBL28940615 0.72 TAAR1 (0.47) NR3C2POLB
SCHEMBL7451699 0.72 NR3C2 (0.40) NR3C2SIRT2POLB

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