SCHEMBL9437819

SCHEMBL9437819

CCCN(CCCN1C(=O)c2ccccc2C1=O)CCc1ccc2c(c1)[S+]([O-])CN2C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
DRD3 P35462 1/20 0.41
HRH1 P35367 1/20 0.39

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
SCHEMBL9437972 0.97 MAOB (0.46) MAOBBCHEACHEDRD3
SCHEMBL9437947 0.95 MAOB (0.44) MAOBBCHEACHEDRD3HRH1
SCHEMBL9437928 0.94 MAOB (0.43) MAOBBCHEACHEDRD3HRH1
SCHEMBL9437821 0.93 MAOB (0.46) MAOBBCHEACHEDRD3
SCHEMBL9437731 0.91 MAOB (0.41) MAOBBCHEACHEDRD3
SCHEMBL9556240 0.90 MAOB (0.40) MAOBBCHEACHE
SCHEMBL8870159 0.85 TDP1 (0.51)
SCHEMBL8869440 0.83 CA1 (0.47)
SCHEMBL9437833 0.80 ACHE (0.42) ACHE
SCHEMBL9437787 0.79 ACHE (0.44) ACHE

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
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed