SCHEMBL5282365

SCHEMBL5282365

CCCCCCn1nnc(CC(C)(C)C)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HCAR3 P49019 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
SCHEMBL5281302 0.94 SLC9A1 (0.35) SLC9A1
SCHEMBL5276174 0.89 SLC9A1 (0.38) SLC9A1CNR1CNR2HCAR3
SCHEMBL5281543 0.88 GRIA4 (0.38) SLC9A1
SCHEMBL5283533 0.87 SLC9A1 (0.42) SLC9A1CNR1CNR2HCAR3
SCHEMBL5283888 0.87 SLC9A1 (0.42) SLC9A1HCAR3
SCHEMBL5273494 0.85 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3
SCHEMBL5280793 0.85 SLC9A1 (0.41) SLC9A1HCAR3
SCHEMBL5276419 0.84 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3
SCHEMBL5277213 0.84 SLC9A1 (0.40) SLC9A1CNR1CNR2HCAR3
SCHEMBL5275947 0.84 SLC9A1 (0.40) SLC9A1HCAR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed