SCHEMBL5282492

SCHEMBL5282492

CCCCCCn1nnc(CCC)c1CCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
GABRB3 P28472 2/20 0.35
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 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
SCHEMBL5275928 0.95 SLC9A1 (0.44) SLC9A1GABRB3HCAR3MAPTALDH1A1
SCHEMBL5279198 0.95 SLC9A1 (0.44) SLC9A1GABRB3HCAR3MAPTALDH1A1
SCHEMBL5276362 0.93 SLC9A1 (0.42) SLC9A1GABRB3HCAR3GRM2MAOB
SCHEMBL5276328 0.91 SLC9A1 (0.44) SLC9A1GABRB3HCAR3MAPTALDH1A1
SCHEMBL5274923 0.91 SLC9A1 (0.44) SLC9A1GABRB3HCAR3MAPTALDH1A1
SCHEMBL5281801 0.89 SLC9A1 (0.45) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL9944053 0.87 SLC9A1 (0.44) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5282929 0.87 SLC9A1 (0.41) SLC9A1GABRB3HCAR3GRM2MAOB
SCHEMBL5279151 0.87 SLC9A1 (0.41) SLC9A1GABRB3HCAR3ALDH1A1GRM2
SCHEMBL5276419 0.85 SLC9A1 (0.40) 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