SCHEMBL8557409

SCHEMBL8557409

O=[N+]([O-])C1COc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOB P27338 3/20 0.37
TP53 P04637 3/20 0.37
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29991998 0.78 CA2 (0.36) MAOBMEN1KMT2A
SCHEMBL31561634 0.78 ROCK2 (0.38) MAOBMEN1KMT2A
SCHEMBL28056978 0.78 ESR1 (0.40) RAB9AMAOB
SCHEMBL3984874 0.78 MALT1 (0.38)
SCHEMBL31561635 0.78 ROCK2 (0.38) MAOBMEN1KMT2A
SCHEMBL30937657 0.78 ROCK2 (0.38)
SCHEMBL31561625 0.78 CHRNB4 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL31561633 0.78 ROCK2 (0.38) TP53
SCHEMBL5500714 0.77 IDO1 (0.38) MEN1KMT2A
SCHEMBL10500702 0.76 NISCH (0.38) NISCHNPC1RAB9ASIGMAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930562-A Preparation method of cyclic chiral nitro compound 北京师范大学 2025-05-06 CN disclosed
EP-0564358-B1 3-aminochromane spiro derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-11-04 EP disclosed
US-5420150-A Antidepressants and treatment of anxiety GUILLAUMET GERALD (FR) 1995-05-30 US disclosed
US-5397783-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-03-14 US disclosed
US-5376661-A Psychological disorders ADIR ET COMPAGNIE (FR) 1994-12-27 US disclosed
EP-0564358-A1 3-aminochromane spiro derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-10-06 EP disclosed