SCHEMBL5279059

SCHEMBL5279059

CCCc1nnn(C(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 2/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MAOA P21397 2/20 0.36

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
SCHEMBL5273774 0.89 MAOA (0.35) GABRB3GABRA2GABRB2MAOA
SCHEMBL5279552 0.83 GABRB3 (0.35) GABRB3GABRA2GABRB2MAOA
SCHEMBL5274900 0.82 GABRB3 (0.39) GABRB3GABRA2GABRB2MAOA
SCHEMBL5282370 0.78 GABRB3 (0.34) GABRB3
SCHEMBL5274321 0.78 GABRB3 (0.34) GABRB3GABRA2GABRB2
SCHEMBL5281551 0.78 GABRB3 (0.31) GABRB3GABRA2GABRB2
SCHEMBL5279446 0.78 GABRB3 (0.39) GABRB3GABRA2GABRB2
SCHEMBL5280637 0.78 TOP2A (0.30)
SCHEMBL5280268 0.78 CACNA2D1 (0.33) MAOA
SCHEMBL5286592 0.77 MAOB (0.37) GABRB3GABRA2GABRB2MAOA

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