SCHEMBL5281586

SCHEMBL5281586

CCCCc1nnn(CC)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.32
SLC9A1 P19634 5/20 0.32
NPC1 O15118 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5278034 0.88 GABRB3 (0.36) ALDH1A1MAOASLC9A1NPC1GABRA2
SCHEMBL5277642 0.87 SLC9A1 (0.41) L3MBTL1ALDH1A1MAOBSLC9A1GABRA2
SCHEMBL5278886 0.87 SLC9A1 (0.36) L3MBTL1ALDH1A1MAOBSLC9A1
SCHEMBL5275557 0.84 SLC9A1 (0.44) L3MBTL1ALDH1A1MAOBSLC9A1
SCHEMBL5274770 0.79 SLC9A1 (0.35) ALDH1A1MAOASLC9A1NPC1GABRA2
SCHEMBL5272914 0.79 SLC9A1 (0.41) MAOBSLC9A1GABRA2GABRB2
SCHEMBL5275648 0.78 MAOA (0.51) MAOAMAOBSLC9A1NPC1GABRA2
SCHEMBL5275572 0.78 MAOA (0.34) MAOAMAOBSLC9A1NPC1
SCHEMBL5289568 0.78 MAOB (0.39) MAOAMAOBSLC9A1NPC1
SCHEMBL5281605 0.78 MAOB (0.42) L3MBTL1ALDH1A1MAOBGABRA2GABRB2

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