SCHEMBL5280876

SCHEMBL5280876

CCCCc1nnn(CCCC)c1CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
GRM2 Q14416 1/20 0.34
MAOB P27338 1/20 0.34
TOP2A P11388 1/20 0.33
HCAR3 P49019 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
SCHEMBL5276899 0.94 SLC9A1 (0.40) SLC9A1GRM2MAOBHCAR3
SCHEMBL5277693 0.94 SLC9A1 (0.37) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5276217 0.94 MAOB (0.34) SLC9A1MAOB
SCHEMBL5275676 0.90 SLC9A1 (0.39) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5277324 0.89 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279843 0.89 MAOB (0.32) MAOB
SCHEMBL5274055 0.88 SLC9A1 (0.40) SLC9A1GRM2MAOBHCAR3
SCHEMBL5278554 0.87 SLC9A1 (0.37) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5280775 0.84 SLC9A1 (0.42) SLC9A1GRM2MAOBTOP2AHCAR3
SCHEMBL5282560 0.84 SLC9A1 (0.37) 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