SCHEMBL5276804

SCHEMBL5276804

CCCCCCn1nnc(CCC)c1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
MAOA P21397 1/20 0.38
GABRB3 P28472 2/20 0.35
HCAR3 P49019 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.33
SMPD1 P17405 3/20 0.32

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
SCHEMBL5286173 0.93 SLC9A1 (0.45) SLC9A1MAOAHCAR3MAPTGRM2
SCHEMBL5274763 0.93 SLC9A1 (0.42) SLC9A1MAOAGABRB3HCAR3GABRA2
SCHEMBL1962734 0.91 SLC9A1 (0.44) SLC9A1MAOAHCAR3MAPTGRM2
SCHEMBL5279549 0.87 SLC9A1 (0.46) SLC9A1MAOAHCAR3MAPTGRM2
SCHEMBL5278890 0.85 SLC9A1 (0.42) SLC9A1MAOAGABRB3HCAR3MAPT
SCHEMBL5280162 0.85 MAOA (0.41) SLC9A1MAOAGABRB3HCAR3GABRA2
SCHEMBL5281340 0.82 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5282492 0.82 SLC9A1 (0.45) SLC9A1GABRB3HCAR3MAPTGRM2
SCHEMBL5273967 0.81 MAOA (0.40) SLC9A1MAOAGABRB3GABRA2GABRB2
SCHEMBL5277913 0.81 SLC9A1 (0.42) SLC9A1HCAR3MAPTGRM2ALDH1A1

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