SCHEMBL3913614

SCHEMBL3913614

NC(=NN1CCNCC1)NN1CCNCC1

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
SCHEMBL3589175 0.73 CA2 (0.31)
SCHEMBL3910316 0.70 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL1459326 0.70 GNAI3 (0.44) GNAI3GNAO1GNAI1
SCHEMBL1132836 0.70 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL27352631 0.69 CTH (0.32)
Hydrochloric Acid SCHEMBL27366007 0.68 CTH (0.32)
Hydrochloric Acid SCHEMBL27503795 0.68 GNAI3 (0.47) GNAI3GNAO1GNAI1
SCHEMBL27352632 0.67 MEN1 (0.33)
SCHEMBL11443167 0.67 GNAI3 (0.42) GNAI3GNAO1GNAI1
SCHEMBL28468503 0.67 GNAI3 (0.35) 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