SCHEMBL5770644

SCHEMBL5770644

CCN(CC)CCCOn1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
HRH1 P35367 2/20 0.48
SLC6A2 P23975 1/20 0.48
ALDH1A1 P00352 1/20 0.42
DRD3 P35462 6/20 0.41
DRD2 P14416 5/20 0.41
XDH P47989 1/20 0.41
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
BCHE P06276 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL5746664 0.90 SLC6A4 (0.43) SLC6A4HRH1SLC6A2ALDH1A1DRD3
SCHEMBL5745083 0.89 RAB9A (0.44) SLC6A4HRH1SLC6A2ALDH1A1DRD3
SCHEMBL5770349 0.83 HTR1B (0.49) SLC6A4HRH1SLC6A2ALDH1A1DRD3
SCHEMBL5748287 0.79 SLC6A2 (0.42) SLC6A2ALDH1A1DRD3DRD2TSHR
SCHEMBL28824473 0.77 GPR3 (0.43) SLC6A2ALDH1A1TSHRMAPTPOLB
SCHEMBL5746059 0.76 HTR1B (0.45) SLC6A4HRH1SLC6A2ALDH1A1DRD3
SCHEMBL4780222 0.75 SLC6A4 (0.72) SLC6A4HRH1SLC6A2TSHRNPY1R
SCHEMBL5776857 0.74 HTR1B (0.45) DRD3DRD2TSHRHTR1BHTR2A
SCHEMBL5746680 0.74 HTR1B (0.44) ALDH1A1HTR1BHTR2A
SCHEMBL5748317 0.73 HRH1 (0.49) SLC6A4HRH1ALDH1A1TSHRHTR1D

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-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed