SCHEMBL5281144

SCHEMBL5281144

CCn1nnc(CC(C)(C)C)c1Br

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.31
MAOA P21397 1/20 0.30
TOP2A P11388 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
SCHEMBL5277817 0.85 GRM2 (0.38) GRM2SLC9A1TOP2A
SCHEMBL5275375 0.82 GRM2 (0.41) GRM2SLC9A1TOP2A
SCHEMBL5284531 0.81 SLC9A1 (0.32) SLC9A1NPC1MAOA
SCHEMBL5278501 0.80 SLC9A1 (0.41) GRM2SLC9A1TOP2A
SCHEMBL5275573 0.79 GRM2 (0.39) GRM2SLC9A1NPC1MAOATOP2A
SCHEMBL5275204 0.78 MAOA (0.44) SLC9A1NPC1MAOA
SCHEMBL5278979 0.78 GRIA1 (0.33) SLC9A1NPC1MAOA
SCHEMBL5278313 0.78 SLC9A1 (0.32) SLC9A1NPC1MAOA
SCHEMBL5275556 0.78 SLC9A1 (0.30) SLC9A1
SCHEMBL5280458 0.78 MAOA (0.32) SLC9A1MAOA

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