SCHEMBL5284531

SCHEMBL5284531

CCn1nnc(CC(C)(C)C)c1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.31
MAOA P21397 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
SCHEMBL5282616 0.85 SLC9A1 (0.35) SLC9A1
SCHEMBL5280458 0.85 MAOA (0.32) SLC9A1MAOA
SCHEMBL5275556 0.85 SLC9A1 (0.30) SLC9A1
SCHEMBL5282103 0.84 SLC9A1 (0.33) SLC9A1NPC1MAOA
SCHEMBL5278762 0.82
SCHEMBL5281135 0.82 SLC9A1 (0.38) SLC9A1
SCHEMBL5275284 0.82
SCHEMBL5281144 0.81 GRM2 (0.35) SLC9A1NPC1MAOA
SCHEMBL5277291 0.81 MAOA (0.33) SLC9A1NPC1MAOA
SCHEMBL5277734 0.80 SLC9A1 (0.41) SLC9A1

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