SCHEMBL6171995

SCHEMBL6171995

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.42
LPAR1 Q92633 1/20 0.35
JAK3 P52333 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL6174709 0.91 ADA (0.44) ADALPAR1KDM4AKDM5AKDM4C
SCHEMBL6134589 0.84 ADA (0.43) ADALPAR1
SCHEMBL6133735 0.83 ADA (0.59) ADA
SCHEMBL6168401 0.83 ADA (0.59) ADAKDM4AKDM4C
SCHEMBL6170502 0.83 ADA (0.48) ADAKDM5AKDM4CKDM5B
SCHEMBL6133830 0.82 ADA (0.42) ADALPAR1
SCHEMBL6172025 0.82 LPAR1 (0.42) ADALPAR1KDM4AKDM4C
SCHEMBL1385827 0.82 ADA (0.42) ADALPAR1
Hydrochloric Acid SCHEMBL6133945 0.82 ADA (0.58) ADA
SCHEMBL6172230 0.82 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