SCHEMBL5285988

SCHEMBL5285988

CCCc1nnn(C(C)C)c1CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 4/20 0.34
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33

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
SCHEMBL5282618 0.90 MAOB (0.31)
SCHEMBL5279125 0.88 GABRB3 (0.32) GABRB3
SCHEMBL5286956 0.86 GABRB3 (0.31) GABRB3GABRA2GABRB2
SCHEMBL5279210 0.86
SCHEMBL5274900 0.86 GABRB3 (0.39) GABRB3GABRA2GABRB2
SCHEMBL5279446 0.82 GABRB3 (0.39) GABRB3GABRA2GABRB2
SCHEMBL5273497 0.82 MAOB (0.34)
SCHEMBL5280617 0.81
SCHEMBL5286592 0.81 MAOB (0.37) GABRB3GABRA2GABRB2
SCHEMBL23694373 0.79 HDAC8 (0.33) GABRB3GABRA2GABRB2

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