SCHEMBL5283445

SCHEMBL5283445

CCCCCCn1nnc(CCCC)c1CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
MAOB P27338 1/20 0.35
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33
TBXAS1 P24557 1/20 0.33
GABRB3 P28472 1/20 0.31
SMPD1 P17405 4/20 0.31

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
SCHEMBL5274923 0.93 SLC9A1 (0.44) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5277834 0.93 SLC9A1 (0.41) SLC9A1MAOBHCAR3GRM2GABRB3
SCHEMBL5281801 0.91 SLC9A1 (0.45) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5275928 0.90 SLC9A1 (0.44) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5277682 0.89 SLC9A1 (0.46) SLC9A1HCAR3MAPTALDH1A1LMNA
SCHEMBL5283906 0.89 MAOB (0.37) SLC9A1MAOBALDH1A1GRM2GABRB3
SCHEMBL5284456 0.86 SLC9A1 (0.44) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5279198 0.86 SLC9A1 (0.44) SLC9A1MAOBHCAR3MAPTALDH1A1
SCHEMBL5281259 0.86 SLC9A1 (0.41) SLC9A1MAOBHCAR3GRM2GABRB3
SCHEMBL9944053 0.86 SLC9A1 (0.44) SLC9A1MAOBHCAR3MAPTALDH1A1

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