SCHEMBL7401050

SCHEMBL7401050

CNC(=O)C(CO)NCc1ccc(OCc2ccccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
SCN9A Q15858 1/20 0.48
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
CD274 Q9NZQ7 4/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PDCD1 Q15116 2/20 0.43

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
SCHEMBL9128439 1.00 MAOB (0.50) MAOBSCN9AS1PR1S1PR5MMP9
SCHEMBL9129379 0.88 SCN9A (0.64) MAOBSCN9A
SCHEMBL1069207 0.88 TP53 (0.55) MAOBSCN9AMMP9MMP8
SCHEMBL7397891 0.88 TP53 (0.55) MAOBSCN9AMMP9MMP8
SCHEMBL1070090 0.88 SCN9A (0.64) MAOBSCN9A
SCHEMBL8935472 0.86 MMP9 (0.60) MMP9MMP8
SCHEMBL1071045 0.86 MMP9 (0.60) MMP9MMP8
SCHEMBL8935277 0.86 MMP9 (0.60) MMP9MMP8
SCHEMBL9128341 0.85 MAOB (0.54) MAOBSCN9AMMP9MMP8CD274
SCHEMBL7441220 0.85 MAOB (0.54) MAOBSCN9AMMP9MMP8CD274

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400495-B1 N-phenylalkyl substituted alpha-amino carboxamide derivatives and process for their preparation. ERBA CARLO SPA (IT) 1993-11-03 EP 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
EP-0400495-A1 N-phenylalkyl substituted alfa-amino carboxamide derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-05 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