SCHEMBL6171815

SCHEMBL6171815

NC(=O)c1cn(C[C@@H](O)CCCc2ccc3ccccc3c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.46
CYP1A2 P05177 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 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
SCHEMBL5674024 0.97 ADA (0.46) ADACYP1A2HDAC1HDAC8
SCHEMBL6133343 0.87 ADA (0.42) ADA
SCHEMBL6170042 0.87 ADA (0.54) ADA
SCHEMBL6133548 0.85 ADA (0.61) ADAHDAC1POLB
SCHEMBL6171229 0.83 ADA (0.42) ADACYP1A2
SCHEMBL5673400 0.83 ADA (0.47) ADAHDAC1HDAC8
SCHEMBL6173074 0.83 ADA (0.53) ADA
SCHEMBL5673428 0.82 KDM4E (0.38) ADACYP1A2HDAC1HDAC8POLB
SCHEMBL6168401 0.81 ADA (0.59) ADA
SCHEMBL5673950 0.79 ADA (0.45) ADAPOLB

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