SCHEMBL7396648

SCHEMBL7396648

C[C@H](NCc1cccc(OCc2ccccc2)c1)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.64
MAOA P21397 3/20 0.64
SCN9A Q15858 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CD274 Q9NZQ7 1/20 0.58
BCHE P06276 1/20 0.56

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
SCHEMBL3287791 1.00 MAOB (0.64) MAOBMAOASCN9AMEN1KMT2A
SCHEMBL7390171 0.88 SCN9A (0.70) MAOBMAOASCN9ABCHE
SCHEMBL7390166 0.88 SCN9A (0.70) MAOBMAOASCN9ABCHE
SCHEMBL966003 0.88 MAOB (0.62) MAOBMAOASCN9A
SCHEMBL965324 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL964409 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL963797 0.88 MAOB (0.83) MAOBMAOASCN9A
SCHEMBL4456855 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE
SCHEMBL1070615 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE
SCHEMBL7403715 0.87 MAOB (0.74) MAOBMAOASCN9ABCHE

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