SCHEMBL5286986

SCHEMBL5286986

CCCCCCn1nnc(CC(C)C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ACHE P22303 1/20 0.33
HCAR3 P49019 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 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
SCHEMBL5276221 0.94 SLC9A1 (0.34) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5282075 0.89 GRIA4 (0.34) SLC9A1ALDH1A1LMNA
SCHEMBL5274445 0.86 SLC9A1 (0.40) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5273261 0.85 SLC9A1 (0.39) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5276855 0.85 SLC9A1 (0.39) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278429 0.83 GRIA1 (0.31) MAPTLMNA
SCHEMBL5275035 0.81 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5279499 0.81 SLC9A1 (0.38) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5278791 0.80 SLC9A1 (0.37) SLC9A1CNR1CNR2ACHEHCAR3
SCHEMBL5288803 0.79 SLC9A1 (0.41) SLC9A1CNR1CNR2ACHEHCAR3

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