SCHEMBL6168401

SCHEMBL6168401

NC(=O)c1cn(C[C@@H](O)CCCc2cccc3ccccc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.59
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MTNR1A P48039 1/20 0.40
ABCB1 P08183 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP10 Q53GL7 1/20 0.37
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL6133743 0.88 ADA (0.47) ADAKDM4AKDM4CMTNR1ALMNA
SCHEMBL6133239 0.88 ADA (0.47) ADAKDM4AKDM4C
SCHEMBL7661731 0.87 ADA (0.47) ADAKDM4AKDM4CMTNR1AABCB1
SCHEMBL7664374 0.87 ADA (0.47) ADAKDM4AKDM4CMTNR1AABCB1
SCHEMBL6134589 0.86 ADA (0.43) ADA
SCHEMBL6174709 0.85 ADA (0.44) ADAKDM4AKDM4C
SCHEMBL6170502 0.85 ADA (0.48) ADAKDM4CMEN1KMT2ALMNA
SCHEMBL6133390 0.84 ADA (0.46) ADAMEN1KMT2ALMNAPRNP
SCHEMBL7661666 0.83 ADA (0.44) ADAKDM4AKDM4CMTNR1A
SCHEMBL6171995 0.83 ADA (0.42) ADAKDM4AKDM4C

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 6 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-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