SCHEMBL5284894

SCHEMBL5284894

CCCCc1c(CCC)nnn1CCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
SLC9A1 P19634 5/20 0.36
GRIA4 P48058 1/20 0.36
MAOA P21397 1/20 0.34
GABRB3 P28472 4/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
TOP2A P11388 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
SCHEMBL5282446 0.94 MAOB (0.41) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5275217 0.93 MAOB (0.37) MAOBSLC9A1GRIA4MAOAGABRB3
SCHEMBL5282929 0.93 SLC9A1 (0.41) MAOBSLC9A1MAOAGABRB3GRM2
SCHEMBL5280477 0.90 SLC9A1 (0.39) MAOBSLC9A1GRIA4MAOAGABRB3
SCHEMBL5279198 0.89 SLC9A1 (0.44) MAOBSLC9A1MAOAGABRB3GRM2
SCHEMBL5274550 0.89 MAOB (0.40) MAOBSLC9A1GRIA4MAOAGABRB3
SCHEMBL5280775 0.87 SLC9A1 (0.42) MAOBSLC9A1GRIA4MAOAGRM2
SCHEMBL5276362 0.87 SLC9A1 (0.42) MAOBSLC9A1GRIA4MAOAGABRB3
SCHEMBL5286216 0.87 MAOB (0.38) MAOBSLC9A1GRIA4MAOAGABRB3
SCHEMBL5283906 0.85 MAOB (0.37) MAOBSLC9A1GRIA4MAOAGABRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020146432-A1 USE OF AN ANTI-CD45 ANTIBODY DRUG CONJUGATE (ADC) IN CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-07-16 WO disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed