SCHEMBL7403715

SCHEMBL7403715

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.74
SCN9A Q15858 2/20 0.74
MAOA P21397 1/20 0.74
HRH3 Q9Y5N1 2/20 0.64
BCHE P06276 1/20 0.60

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
SCHEMBL4456855 1.00 MAOB (0.74) MAOBSCN9AMAOAHRH3BCHE
SCHEMBL1070615 1.00 MAOB (0.74) MAOBSCN9AMAOAHRH3BCHE
SCHEMBL7390166 0.96 SCN9A (0.70) MAOBSCN9AMAOAHRH3BCHE
SCHEMBL7390171 0.96 SCN9A (0.70) MAOBSCN9AMAOAHRH3BCHE
SCHEMBL23440921 0.89 MAOB (0.67) MAOBSCN9AMAOAHRH3
SCHEMBL23440991 0.88 MAOB (0.76) MAOBSCN9AMAOAHRH3
SCHEMBL23440948 0.88 MAOB (0.65) MAOBSCN9AMAOAHRH3
SCHEMBL1069302 0.88 MAOB (0.76) MAOBSCN9AMAOAHRH3
SCHEMBL23440930 0.88 MAOB (0.76) MAOBSCN9AMAOAHRH3
SCHEMBL2016084 0.88 MAOB (0.76) MAOBSCN9AMAOAHRH3

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 5 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
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 WO disclosed