SCHEMBL8288165

SCHEMBL8288165

NCC(C1=CCCC=C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
TAAR1 Q96RJ0 4/20 0.54
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HRH1 P35367 2/20 0.41
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AKT2 P31751 1/20 0.35
CHRNA7 P36544 1/20 0.34

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
SCHEMBL21022081 0.80 GABBR2 (0.45) GABBR2GABBR1
SCHEMBL13177593 0.80 TAAR1 (0.43) HTR2ATAAR1HRH1SLC6A2SLC6A4
SCHEMBL9441022 0.79 DPP4 (0.38) HTR2ATAAR1
SCHEMBL22199538 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL13619947 0.74 LMNA (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL149259 0.72 HTR2A (1.00) HTR2ATAAR1CHRNB2CHRNA4HRH1
SCHEMBL2313997 0.71 MEN1 (0.38) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL20038755 0.71 GABBR2 (0.43) GABBR2GABBR1
SCHEMBL13700642 0.70 KDM4E (0.43) HTR2ASLC6A4
SCHEMBL13700569 0.70 KDM4E (0.43) HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005058298-A2 FK228 ANALOGS AND THEIR USE AS HDAC-INHIBITORS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-30 WO disclosed