SCHEMBL6174709

SCHEMBL6174709

Cc1ccccc1CCC[C@H](O)Cn1cnc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.44
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LPAR1 Q92633 1/20 0.36
NR3C2 P08235 1/20 0.35
TP53 P04637 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
SCHEMBL6171995 0.91 ADA (0.42) ADAKDM4AKDM5AKDM4CKDM5B
SCHEMBL6134589 0.88 ADA (0.43) ADALPAR1
SCHEMBL6170502 0.87 ADA (0.48) ADAKDM5AKDM4CKDM5B
SCHEMBL6172025 0.86 LPAR1 (0.42) ADAKDM4AKDM4CLPAR1NR3C2
SCHEMBL6133830 0.86 ADA (0.42) ADALPAR1
SCHEMBL1385827 0.86 ADA (0.42) ADALPAR1
SCHEMBL6134341 0.85 ADA (0.41) ADALPAR1
SCHEMBL6133834 0.85 ADA (0.41) ADALPAR1
SCHEMBL6168401 0.85 ADA (0.59) ADAKDM4AKDM4C
SCHEMBL6171094 0.84 ADA (0.40) ADANR3C2

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