SCHEMBL5273610

SCHEMBL5273610

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
NPC1 O15118 1/20 0.34
SLC9A1 P19634 1/20 0.32
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
SCHEMBL5278372 0.85 GRIA4 (0.38) GRIA4SLC9A1
SCHEMBL5276508 0.84 NPC1 (0.36) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5288686 0.82 SLC9A1 (0.38) GRIA4SLC9A1
SCHEMBL5276537 0.81 NPC1 (0.34) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5273628 0.80 SLC9A1 (0.41) SLC9A1
SCHEMBL5278639 0.78 MAOA (0.44) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5278534 0.78 MEN1 (0.34) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5280869 0.78 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5275309 0.78 NPC1 (0.33) GRIA1GRIA2GRIA3GRIA4NPC1
SCHEMBL5285507 0.78 NPC1 (0.33) GRIA1GRIA2GRIA3GRIA4NPC1

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