SCHEMBL10388652

SCHEMBL10388652

NCCCCCc1cccc2c1C(CCCCCN)c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HRH1 P35367 3/20 0.40
MAOA P21397 1/20 0.36
TLR8 Q9NR97 3/20 0.33
SLC6A4 P31645 2/20 0.33
MPO P05164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SSTR5 P35346 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL7202268 0.87 TDO2 (0.38) HTR2ASLC6A4CA1CA2CHRM2
SCHEMBL6760397 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL6758783 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL167383 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL235557 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL1797128 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL6759465 0.85 LIPG (0.44) HTR2ASLC6A4ACHESLC6A2
SCHEMBL6364753 0.84 HTR2A (0.37) HTR2AHRH1MAOATLR8SLC6A4
SCHEMBL3425449 0.84 LIPG (0.41) HTR2AACHE
SCHEMBL1199989 0.81 HTR2A (0.59) HTR2AHRH1MAOASLC6A4CA1

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
US-4897092-A GAS SEPARATION; ALKYLATED BIS-ANILINE MONOMERS AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-01-30 US disclosed