SCHEMBL8935334

SCHEMBL8935334

CN(C)C(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
ALOX5 P09917 2/20 0.52
BCHE P06276 2/20 0.52
MAOB P27338 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL8935359 1.00 MMP9 (0.56) MMP9MMP8ALOX5BCHEMAOB
SCHEMBL7395880 0.87 MAOB (0.64) MAOB
SCHEMBL8935295 0.87 MAOB (0.64) MAOB
SCHEMBL8935315 0.87 ALOX5 (0.57) ALOX5MAOB
SCHEMBL8935390 0.85 MAOB (0.53) MMP9MMP8MAOB
SCHEMBL7396610 0.85 MAOB (0.53) MMP9MMP8MAOB
SCHEMBL7396889 0.85 SCN9A (0.63) MMP9MMP8MAOB
SCHEMBL8935406 0.85 SCN9A (0.63) MMP9MMP8MAOB
SCHEMBL8935316 0.85 BCHE (0.57) ALOX5BCHEMAOB
SCHEMBL7394431 0.85 BCHE (0.57) ALOX5BCHEMAOB

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed