SCHEMBL5280741

SCHEMBL5280741

CCc1nnn(CC)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
NPC1 O15118 1/20 0.35
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.32
TOP2A P11388 1/20 0.31
GABRB3 P28472 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL5278038 0.82 MAOA (0.36) SLC9A1NPC1MAOAALDH1A1GRM2
SCHEMBL5276830 0.82 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5275572 0.79 MAOA (0.34) SLC9A1NPC1MAOA
SCHEMBL5284272 0.79 SLC9A1 (0.43) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5278313 0.79 SLC9A1 (0.32) SLC9A1NPC1MAOA
SCHEMBL5278534 0.79 MEN1 (0.34) SLC9A1NPC1MAOA
SCHEMBL5280571 0.78
SCHEMBL5274860 0.76 MAOA (0.49) SLC9A1NPC1MAOAALDH1A1GRM2
SCHEMBL5275973 0.76
SCHEMBL5275895 0.76 GABRB3 (0.37) SLC9A1NPC1MAOAALDH1A1GRM2

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