SCHEMBL3910211

SCHEMBL3910211

CCCN(C(=N)NN1CCNCC1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
SIGMAR1 Q99720 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
SCHEMBL3910354 0.87 GNAI3 (0.39) GNAI3GNAO1GNAI1
SCHEMBL3920815 0.77 SIGMAR1 (0.36) SIGMAR1
SCHEMBL3915517 0.76 GNAI3 (0.36) GNAI3GNAO1GNAI1
SCHEMBL3911408 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL3913596 0.74 GNAI3 (0.33) GNAI3GNAO1GNAI1
SCHEMBL11020880 0.70 SIGMAR1 (0.36) SIGMAR1
SCHEMBL11020886 0.69 SIGMAR1 (0.36) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL3910217 0.67 SIGMAR1 (0.34) SIGMAR1
SCHEMBL3912786 0.66
SCHEMBL3912620 0.66 SIGMAR1 (0.33) SIGMAR1

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