SCHEMBL11554348

SCHEMBL11554348

Nc1cccc(N2CC(CO)OC2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.73
MAOB P27338 1/20 0.73
GRM2 Q14416 10/20 0.65
CALML3 P27482 6/20 0.55

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
SCHEMBL11228709 0.86 MAOA (0.73) MAOAMAOBGRM2CALML3
SCHEMBL28773103 0.85 MAOA (0.68) MAOAMAOBGRM2CALML3
SCHEMBL1032517 0.84 MAOA (0.71) MAOAMAOBGRM2CALML3
SCHEMBL3087781 0.84 MAOA (0.71) MAOAMAOBGRM2CALML3
Toloxatone SCHEMBL49437 0.84 MAOA (1.00) MAOAMAOBGRM2CALML3
SCHEMBL24731394 0.84 MAOA (0.71) MAOAMAOBGRM2CALML3
SCHEMBL1557298 0.84 MAOA (0.71) MAOAMAOBGRM2CALML3
Toloxatone SCHEMBL29394786 0.84 MAOA (1.00) MAOAMAOBGRM2CALML3
SCHEMBL30063909 0.84 MAOA (0.71) MAOAMAOBGRM2CALML3
SCHEMBL4647201 0.84 MAOB (0.67) MAOAMAOBGRM2CALML3

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-4150029-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1979-04-17 US disclosed