SCHEMBL8908886

SCHEMBL8908886

c1ccc(CNc2ccnc3ccccc23)c(CNc2ccnc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1A P35348 2/20 0.71
ADRA1B P35368 2/20 0.71
FERMT2 Q96AC1 1/20 0.63
HDAC6 Q9UBN7 1/20 0.56
HRH3 Q9Y5N1 5/20 0.52
PKM P14618 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL30307434 0.89 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30307406 0.89 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13496044 0.88 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8907463 0.86 HDAC6 (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL3051350 0.84 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197362 0.84 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923171 0.83 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197407 0.83 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL28187442 0.82 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8907236 0.81 HDAC6 (0.67) HTR1AADRA1DADRA1AADRA1BFERMT2

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-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed