SCHEMBL5284534

SCHEMBL5284534

CCCCn1nnc(CC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GABRB3 P28472 3/20 0.38
GRM2 Q14416 1/20 0.37
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MPO P05164 1/20 0.31
HTT P42858 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
SCHEMBL5276328 0.93 SLC9A1 (0.44) SLC9A1GABRB3GRM2HCAR3MAOB
SCHEMBL5276051 0.93 SLC9A1 (0.41) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5276362 0.91 SLC9A1 (0.42) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5279151 0.89 SLC9A1 (0.41) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5278533 0.89 GABRB3 (0.40) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5277794 0.89 SLC9A1 (0.43) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5284456 0.86 SLC9A1 (0.44) SLC9A1GABRB3GRM2HCAR3MAOB
SCHEMBL5282929 0.85 SLC9A1 (0.41) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5281259 0.85 SLC9A1 (0.41) SLC9A1GABRB3GRM2TOP2AHCAR3
SCHEMBL5274550 0.85 MAOB (0.40) SLC9A1GABRB3GRM2TOP2AMAOB

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