SCHEMBL3913611

SCHEMBL3913611

N=C(NN1CCNCC1)NN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CHKA P35790 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
SCHEMBL28170293 0.84 GNAI3 (0.34) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28169769 0.83 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL3910316 0.80 GNAI3 (0.37) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL3913596 0.73 GNAI3 (0.33) GNAI3GNAO1GNAI1
SCHEMBL8135068 0.72 HTT (0.39)
SCHEMBL10403133 0.72 GNAI3 (0.46) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL3267951 0.72 GNAI3 (0.46) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL8897918 0.72 GNAI3 (0.38) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL4823917 0.70 GNAI3 (0.44) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL1132836 0.70 GNAI3 (0.37) GNAI3GNAO1GNAI1CA2CA12

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