SCHEMBL6014100

SCHEMBL6014100

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CTRC Q99895 1/20 0.32

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
SCHEMBL6014095 0.77 F2 (0.37) F2ELANECTSGCTRC
SCHEMBL4285844 0.76
SCHEMBL1697130 0.60 GMNN (0.37) F2ELANECTSGCTRC
SCHEMBL8857850 0.57
SCHEMBL6857906 0.52 F2 (0.62) F2ELANECTSGCTRC
SCHEMBL12927818 0.52 F2 (1.00) F2ELANECTSGCTRC
SCHEMBL3709710 0.51
SCHEMBL5455521 0.49
SCHEMBL30912285 0.49 F2 (0.42) F2ELANECTSGCTRC
SCHEMBL7060456 0.49

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