SCHEMBL5277693

SCHEMBL5277693

CCCCn1nnc(CCC)c1CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
GRM2 Q14416 1/20 0.34
GABRB3 P28472 4/20 0.33
TOP2A P11388 1/20 0.33
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
HCAR3 P49019 1/20 0.31
MAOB P27338 1/20 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
SCHEMBL5274055 0.94 SLC9A1 (0.40) SLC9A1GRM2GABRB3GABRA2GABRB2
SCHEMBL5280876 0.94 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5277371 0.90 GABRB3 (0.35) SLC9A1GRM2GABRB3GABRA2GABRB2
SCHEMBL5275676 0.90 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5277324 0.89 SLC9A1 (0.38) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5276899 0.88 SLC9A1 (0.40) SLC9A1GRM2HCAR3MAOB
SCHEMBL5276217 0.87 MAOB (0.34) SLC9A1MAOB
SCHEMBL5282560 0.87 SLC9A1 (0.37) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5276362 0.84 SLC9A1 (0.42) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5278554 0.84 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MAOB

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