SCHEMBL5285518

SCHEMBL5285518

CCn1nnc(CC(C)C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
HTT P42858 1/20 0.31
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
SCHEMBL5279519 0.85 SLC9A1 (0.39) SLC9A1GRIA4
SCHEMBL5274770 0.84 SLC9A1 (0.35) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5277296 0.82 SLC9A1 (0.41) SLC9A1GRIA4
SCHEMBL5277210 0.80 SLC9A1 (0.44) SLC9A1
SCHEMBL5280869 0.78 GRIA1 (0.39) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5278639 0.78 MAOA (0.44) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5278534 0.78 MEN1 (0.34) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31332929 0.78 SLC9A1 (0.34) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5273610 0.77 GRIA1 (0.35) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5273561 0.77 GRM2 (0.35) SLC9A1GRIA1GRIA2GRIA3GRIA4

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