SCHEMBL5200801

SCHEMBL5200801

CCCN(C(=N)N)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
CTH P32929 1/20 0.30

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
SCHEMBL4790338 0.73 TSHR (0.31)
Bromide SCHEMBL8691064 0.72
SCHEMBL9212091 0.69 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15676570 0.68 ALDH1A1 (0.35)
SCHEMBL2000947 0.67
SCHEMBL10852907 0.66
SCHEMBL10824119 0.63 MEN1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9535269 0.63 MEN1 (0.35)
SCHEMBL11522975 0.62 LMNA (0.31)
SCHEMBL4088418 0.62 CTH (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1817034-A1 M1 AND/OR M3 RECEPTOR ANTAGONISTS IN COMBINATION WITH OTHER ACTIVES FOR TREATING RESPIRATORY DISORDERS SCHERING CORPORATION (US) 2007-08-15 EP disclosed
WO-2006047427-A1 M1 AND/OR M3 RECEPTOR ANTAGONISTS IN COMBINATION WITH OTHER ACTIVES FOR TREATING RESPIRATORY DISORDERS SCHERING CORPORATION (US) 2006-05-04 WO disclosed