SCHEMBL5282933

SCHEMBL5282933

CCn1nnc(C(C)(C)C)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
SLC9A1 P19634 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
SCHEMBL5276004 0.86 GRIA4 (0.39) GRIA4SLC9A1
SCHEMBL5277307 0.84 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5279102 0.84 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5279851 0.83 SLC9A1 (0.36) GRIA4SLC9A1
SCHEMBL5275120 0.81 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5279002 0.81 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5321095 0.81 SLC9A1 (0.39) GRIA4SLC9A1
SCHEMBL5284199 0.81 SLC9A1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5280937 0.78 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5285018 0.78 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1

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