SCHEMBL5277157

SCHEMBL5277157

CCCc1nnn(C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
GABRB3 P28472 6/20 0.32
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5274413 0.89 MAOB (0.40) MAOB
SCHEMBL5273803 0.83 GAA (0.31)
SCHEMBL5277779 0.82 GABRB3 (0.40) MAOBGABRB3GABRA2GABRB2SMN1; SMN2
SCHEMBL5272715 0.82 MAOB (0.38) MAOBGABRB3GABRA2GABRB2SMN1; SMN2
SCHEMBL5285979 0.81 SLC9A1 (0.36) GABRB3GABRA2GABRB2
SCHEMBL5275463 0.79 GABRB3 (0.35) MAOBGABRB3GABRA2GABRB2
SCHEMBL5279388 0.79 GABRB3 (0.33) MAOBGABRB3GABRA2GABRB2
SCHEMBL5277291 0.78 MAOA (0.33) GABRB3GABRA2GABRB2
SCHEMBL5280447 0.78 SLC9A1 (0.39) MAOB
SCHEMBL5278033 0.78

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