SCHEMBL5282973

SCHEMBL5282973

CCCn1nnc(CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.40
GRIA4 P48058 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GRM2 Q14416 1/20 0.36
GABRB3 P28472 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5278345 0.88 GABRB3 (0.40) SLC9A1GRIA4ALDH1A1GRM2GABRB3
SCHEMBL5278533 0.88 GABRB3 (0.40) SLC9A1GRIA4ALDH1A1GRM2GABRB3
SCHEMBL5277794 0.88 SLC9A1 (0.43) SLC9A1GRIA4GRM2GABRB3GABRA2
SCHEMBL5274550 0.84 MAOB (0.40) SLC9A1GRIA4ALDH1A1GRM2GABRB3
SCHEMBL5283906 0.84 MAOB (0.37) SLC9A1GRIA4ALDH1A1GRM2GABRB3
SCHEMBL5286710 0.83 SLC9A1 (0.35) SLC9A1GRIA4ALDH1A1GRM2TOP2A
SCHEMBL5277274 0.83 GRIA4 (0.41) SLC9A1GRIA4ALDH1A1GRM2TOP2A
SCHEMBL5277691 0.83 SLC9A1 (0.35) SLC9A1GRIA4ALDH1A1GRM2GABRB3
SCHEMBL5278254 0.83 GRIA4 (0.41) SLC9A1GRIA4ALDH1A1GRM2TOP2A
SCHEMBL5275895 0.82 GABRB3 (0.37) SLC9A1GRIA4ALDH1A1GRM2GABRB3

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