SCHEMBL9585262

SCHEMBL9585262

OC1CCOc2ccc(Cl)cc2C1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.54
ADRA2A P08913 2/20 0.46
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HCRTR2 O43614 1/20 0.36
TERT O14746 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AHR P35869 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CTSL P07711 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9585265 1.00 MAP3K14 (0.54) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL9585257 1.00 MAP3K14 (0.54) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL16397491 0.80 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL24997240 0.80 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL24393413 0.80 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL1265783 0.73 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL24075122 0.73 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL21436437 0.73 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL13198495 0.73 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3HCRTR2
SCHEMBL8912565 0.73 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194442-A 2,3,4,5-tetrahydro-1-benzoxepins, the use thereof and pharmaceutical products based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0360131-A1 2,3,4,5-Tetrahydro-1-benzoxepines, method for their preparation, their use and pharmaceutical compositions based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-28 EP disclosed