SCHEMBL5279151

SCHEMBL5279151

CCCCc1nnn(CCCC)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GRM2 Q14416 1/20 0.37
MAOB P27338 1/20 0.37
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.34
GABRB3 P28472 3/20 0.33
MAOA P21397 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5276362 0.94 SLC9A1 (0.42) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5280775 0.94 SLC9A1 (0.42) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5275928 0.93 SLC9A1 (0.44) SLC9A1GRM2MAOBHCAR3GABRB3
SCHEMBL5282929 0.93 SLC9A1 (0.41) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5275217 0.93 MAOB (0.37) SLC9A1GRM2MAOBTOP2AGABRB3
SCHEMBL5284534 0.89 SLC9A1 (0.41) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5277834 0.89 SLC9A1 (0.41) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5281801 0.87 SLC9A1 (0.45) SLC9A1GRM2MAOBHCAR3MAOA
SCHEMBL5282492 0.87 SLC9A1 (0.45) SLC9A1GRM2MAOBHCAR3GABRB3
SCHEMBL5282446 0.87 MAOB (0.41) SLC9A1GRM2MAOBTOP2AHCAR3

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