SCHEMBL3913596

SCHEMBL3913596

N=C(NN1CCNCC1)N(N1CCNCC1)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 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
SCHEMBL3915517 0.82 GNAI3 (0.36) GNAI3GNAO1GNAI1
SCHEMBL3910354 0.77 GNAI3 (0.39) GNAI3GNAO1GNAI1
SCHEMBL3910211 0.74 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL3913611 0.73 GNAI3 (0.39) GNAI3GNAO1GNAI1
SCHEMBL3911858 0.73 CA2 (0.31)
SCHEMBL3921615 0.70 NOS2 (0.34)
SCHEMBL3910316 0.70 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL28170293 0.65 GNAI3 (0.34) GNAI3GNAO1GNAI1
SCHEMBL3910480 0.65
Hydrochloric Acid SCHEMBL28169769 0.64 GNAI3 (0.37) GNAI3GNAO1GNAI1

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