SCHEMBL6014095

SCHEMBL6014095

CCN1C(=O)[N]C(=O)C(N)=C1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CTRC Q99895 1/20 0.37
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL6014100 0.77 F2 (0.32) F2ELANECTSGCTRC
SCHEMBL1697130 0.65 GMNN (0.37) F2ELANECTSGCTRCGMNN
SCHEMBL8857850 0.61
SCHEMBL3709710 0.60
SCHEMBL12927818 0.57 F2 (1.00) F2ELANECTSGCTRCGMNN
SCHEMBL6857906 0.57 F2 (0.62) F2ELANECTSGCTRCGMNN
SCHEMBL7436460 0.56 ALDH1A1 (0.41) GMNNALDH1A1LMNAMAPTTHPO
SCHEMBL5455521 0.54
SCHEMBL30912285 0.54 F2 (0.42) F2ELANECTSGCTRCGMNN
SCHEMBL7060456 0.54

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685132-A1 A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-08-02 EP disclosed
WO-2005051951-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed