SCHEMBL5280096

SCHEMBL5280096

CCCCc1nnn(C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
GRM2 Q14416 2/20 0.36
HSD11B1 P28845 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
SCHEMBL5273438 0.88 GABRB3 (0.36) MAOBGRM2
SCHEMBL5277061 0.81 GRM2 (0.47) MAOBGRM2
SCHEMBL5280655 0.81 GRM2 (0.42) MAOBGRM2
SCHEMBL5274868 0.79
SCHEMBL5277297 0.78 GRM2 (0.39) MAOBGRM2
SCHEMBL5273703 0.78 SLC9A1 (0.44) MAOBGRM2
SCHEMBL5277192 0.78 MAOB (0.46) MAOBHSD11B1
SCHEMBL5275440 0.78 MAOB (0.58) MAOBHSD11B1
SCHEMBL5277268 0.76 MAOB (0.49) MAOBHSD11B1
SCHEMBL5282328 0.76 MAOB (0.53) MAOBHSD11B1

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