SCHEMBL5276102

SCHEMBL5276102

CCCc1nnn(CC)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

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
GABRB3 P28472 4/20 0.33
MAOA P21397 1/20 0.32
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
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
SCHEMBL5281067 0.90 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4MAOA
SCHEMBL5289426 0.88 GRIA4 (0.40) GRIA4GABRB3GABRA2GABRB2SLC9A1
SCHEMBL5280869 0.87 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4MAOA
SCHEMBL5279209 0.86 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4GABRB3
SCHEMBL5279469 0.85 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MAOA
SCHEMBL5275196 0.85 SLC9A1 (0.37) GRIA4GABRB3SLC9A1
SCHEMBL5276373 0.83 GABRB3 (0.40) GRIA1GRIA2GRIA3GRIA4GABRB3
SCHEMBL5275947 0.82 SLC9A1 (0.40) GRIA4SLC9A1
SCHEMBL5279208 0.81 GABRB3 (0.41) GRIA1GRIA2GRIA3GRIA4GABRB3
SCHEMBL5281528 0.80 MAOB (0.37) GRIA1GRIA2GRIA3GRIA4GABRB3

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