SCHEMBL5276362

SCHEMBL5276362

CCCCn1nnc(CCC)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GRM2 Q14416 1/20 0.38
GABRB3 P28472 6/20 0.37
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.35
MAOB P27338 1/20 0.35
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.31
GRIA4 P48058 1/20 0.30

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
SCHEMBL5282929 0.94 SLC9A1 (0.41) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5279151 0.94 SLC9A1 (0.41) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5282492 0.93 SLC9A1 (0.45) SLC9A1GRM2GABRB3HCAR3MAOB
SCHEMBL5281259 0.91 SLC9A1 (0.41) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5284534 0.91 SLC9A1 (0.41) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5280775 0.89 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5280477 0.88 SLC9A1 (0.39) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5279198 0.87 SLC9A1 (0.44) SLC9A1GRM2GABRB3HCAR3MAOB
SCHEMBL5275928 0.87 SLC9A1 (0.44) SLC9A1GRM2GABRB3HCAR3MAOB
SCHEMBL5275217 0.87 MAOB (0.37) SLC9A1GRM2GABRB3TOP2AMAOB

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