SCHEMBL8935295

SCHEMBL8935295

CN(C)C(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.64
MAOA P21397 1/20 0.64
SCN9A Q15858 1/20 0.64
PPARA Q07869 1/20 0.52
NR4A2 P43354 1/20 0.51
PARP10 Q53GL7 1/20 0.50
GRM5 P41594 1/20 0.49

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
SCHEMBL7395880 1.00 MAOB (0.64) MAOBMAOASCN9APPARANR4A2
SCHEMBL8935315 0.87 ALOX5 (0.57) MAOBMAOASCN9A
SCHEMBL963148 0.87 MAOB (0.76) MAOBMAOASCN9APPARAGRM5
SCHEMBL9129586 0.87 MAOB (0.76) MAOBMAOASCN9APPARAGRM5
SCHEMBL8935359 0.87 MMP9 (0.56) MAOB
SCHEMBL8935334 0.87 MMP9 (0.56) MAOB
SCHEMBL1068001 0.86 MAOB (0.65) MAOBMAOASCN9APPARANR4A2
SCHEMBL7398478 0.86 MAOB (0.65) MAOBMAOASCN9APPARANR4A2
SCHEMBL31060712 0.86 MAOB (0.74) MAOBMAOASCN9APARP10
SCHEMBL963815 0.86 MAOB (0.74) MAOBMAOASCN9APARP10

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 3 patents. 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
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed