SCHEMBL3919253

SCHEMBL3919253

CCCN(C(=N)N)n1ccnn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33

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
SCHEMBL3982064 0.82
SCHEMBL3920608 0.77 NOS1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3911145 0.73 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28477420 0.72 CYP19A1 (0.32)
SCHEMBL4106428 0.70 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3911275 0.69
SCHEMBL27610286 0.65
SCHEMBL9008793 0.64 CYP19A1 (0.30)
SCHEMBL3918234 0.63 MEN1 (0.34)
SCHEMBL27633634 0.62

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-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed