SCHEMBL5274254

SCHEMBL5274254

CCCc1nnn(CC)c1C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
GABRB3 P28472 7/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
SLC9A1 P19634 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL5276339 0.89 MAOB (0.35) MAOA
SCHEMBL5280406 0.87 SLC9A1 (0.35) GABRB3GABRA2GABRB2SLC9A1KMT2A
SCHEMBL5276541 0.86 GABRB3 (0.32) MAOAGABRB3GABRA2GABRB2
SCHEMBL5279042 0.85 MAOA (0.34) MAOAGABRB3GABRA2GABRB2SLC9A1
SCHEMBL5275006 0.84 SLC9A1 (0.38) GABRB3GABRA2GABRB2SLC9A1
SCHEMBL5277291 0.83 MAOA (0.33) MAOAGABRB3GABRA2GABRB2SLC9A1
SCHEMBL5283105 0.82 SLC9A1 (0.41) GABRB3GABRA2GABRB2SLC9A1
SCHEMBL5283221 0.81 GABRB3 (0.39) MAOAGABRB3GABRA2GABRB2SLC9A1
SCHEMBL5280458 0.80 MAOA (0.32) MAOASLC9A1
SCHEMBL5272715 0.79 MAOB (0.38) 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