SCHEMBL5281528

SCHEMBL5281528

CCCc1nnn(C)c1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
GABRB3 P28472 6/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32

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
SCHEMBL5278035 0.89 MAOB (0.44) MAOBGRIA1GRIA2GRIA3GRIA4
SCHEMBL5278092 0.85 MAOB (0.40) MAOBGABRB3GRIA1GRIA2GRIA3
SCHEMBL5280430 0.85 GRIA1 (0.34) MAOBGABRB3GRIA1GRIA2GRIA3
SCHEMBL5281697 0.84 GRIA1 (0.36) MAOBGRIA1GRIA2GRIA3GRIA4
SCHEMBL5289426 0.82 GRIA4 (0.40) GABRB3GRIA4GABRA2GABRB2
SCHEMBL5277670 0.82 MAOB (0.45) MAOBGABRB3GRIA1GRIA2GRIA3
SCHEMBL5275084 0.80 GABRB3 (0.42) MAOBGABRB3GABRA2GABRB2
SCHEMBL5279680 0.80 GABRB3 (0.33) GABRB3GABRA2GABRB2
SCHEMBL5276102 0.80 GRIA1 (0.36) GABRB3GRIA1GRIA2GRIA3GRIA4
SCHEMBL5275196 0.80 SLC9A1 (0.37) MAOBGABRB3GRIA4

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