SCHEMBL5286825

SCHEMBL5286825

CCCCn1nnc(C(C)C)c1CC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL5275477 0.93 SLC9A1 (0.43) SLC9A1GRM2HCAR3GRIA4ALDH1A1
SCHEMBL5326407 0.89 GRIA4 (0.40) SLC9A1GRM2TOP2AHCAR3GRIA4
SCHEMBL5291026 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3GRIA4
SCHEMBL5280270 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3GRIA4
SCHEMBL5279390 0.86 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3GRIA4
SCHEMBL5275722 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279224 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3ALDH1A1LMNA
SCHEMBL5274246 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3ALDH1A1LMNA
SCHEMBL5275884 0.81 GRIA1 (0.37) SLC9A1GRM2GRIA4ALDH1A1
SCHEMBL5284159 0.81 GRIA4 (0.37) SLC9A1GRM2GRIA4ALDH1A1

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