SCHEMBL5286173

SCHEMBL5286173

CCCCCCn1nnc(CCCC)c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.36
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TBXAS1 P24557 1/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 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
SCHEMBL1962734 0.95 SLC9A1 (0.44) SLC9A1MAOAMAOBHCAR3MAPT
SCHEMBL5276804 0.93 SLC9A1 (0.45) SLC9A1MAOAMAOBHCAR3MAPT
SCHEMBL5278890 0.93 SLC9A1 (0.42) SLC9A1MAOAMAOBHCAR3MAPT
SCHEMBL5273967 0.89 MAOA (0.40) SLC9A1MAOAMAOBALDH1A1GRM2
SCHEMBL5279549 0.87 SLC9A1 (0.46) SLC9A1MAOAHCAR3MAPTALDH1A1
SCHEMBL5274763 0.85 SLC9A1 (0.42) SLC9A1MAOAMAOBHCAR3MAPT
SCHEMBL5275648 0.83 MAOA (0.51) SLC9A1MAOAMAOB
SCHEMBL5274290 0.82 SLC9A1 (0.45) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5281801 0.82 SLC9A1 (0.45) SLC9A1MAOAMAOBHCAR3MAPT
SCHEMBL5277913 0.81 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1GRM2

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