SCHEMBL3086264

SCHEMBL3086264

CN1CCC(Oc2cccc(F)c2)c2ccc(-c3ccccn3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
GCK P35557 1/20 0.40
DRD2 P14416 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SCN9A Q15858 1/20 0.39
SSTR4 P31391 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.37
GFRA3 O60609 1/20 0.37
RET P07949 1/20 0.37
FFAR1 O14842 1/20 0.37
HTR2C P28335 1/20 0.36
TDO2 P48775 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
SCHEMBL3081668 0.91 GSK3B (0.41) GSK3BDYRK1AGCKDRD2PRMT5
SCHEMBL3073049 0.89 SSTR4 (0.40) DYRK1ASSTR4SLC6A2SLC6A3KMT2A
SCHEMBL3093770 0.89 SLC6A2 (0.48) GSK3BDYRK1APRMT5WDR77SSTR4
SCHEMBL3076011 0.87 SLC6A2 (0.49) SSTR4SLC6A2SLC6A3KMT2ASLC6A4
SCHEMBL3477064 0.85 SLC6A2 (0.39) DYRK1ASCN9ASSTR4SLC6A2SLC6A3
SCHEMBL3086267 0.85 GSK3B (0.41) GSK3BDYRK1AGCKDRD2PRMT5
SCHEMBL3076605 0.83 SLC6A2 (0.51) DYRK1ASSTR4SLC6A2SLC6A3KMT2A
SCHEMBL3079581 0.82 ROCK2 (0.42) DYRK1ASSTR4GFRA3RETHTR2C
SCHEMBL3069782 0.82 SLC6A2 (0.45) DYRK1ADRD2PRMT5WDR77SSTR4
SCHEMBL3088500 0.82 KMT2A (0.35) DYRK1ADRD2SSTR4SLC6A2SLC6A3

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
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO disclosed