SCHEMBL5745052

SCHEMBL5745052

CCN(CC)CCCOc1cccc2c1c1ccccc1c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
HRH1 P35367 1/20 0.46
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 5/20 0.45
POLB P06746 1/20 0.43
KCNA3 P22001 1/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALOX15 P16050 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5745160 0.94 HTR1B (0.46) SLC6A4SLC6A2HRH1HTR1BHTR1D
SCHEMBL5747032 0.83 HTR1B (0.49) HTR1BALDH1A1KCNA3TSHRGAA
SCHEMBL5749144 0.81 HTR1B (0.48) HTR1BKDM4EPOLBKCNA3HPGD
SCHEMBL5745853 0.81 HTR1B (0.53) SLC6A4HRH1HTR1BALDH1A1KDM4E
SCHEMBL5750596 0.81 HRH1 (0.53) SLC6A4HRH1HTR1BHTR1DALDH1A1
SCHEMBL5748300 0.81 HTR1B (0.56) HTR1BHTR1DALDH1A1KDM4EHSD17B10
SCHEMBL5746113 0.80 MAPT (0.49) SLC6A4SLC6A2HRH1HTR1BHTR1D
SCHEMBL5747008 0.80 HTR1B (0.56) HTR1BHTR1DALDH1A1KDM4EHSD17B10
SCHEMBL5747450 0.79 HTR1B (0.52) SLC6A4HRH1HTR1BHTR1DALDH1A1
SCHEMBL5748004 0.79 CYP2D6 (0.50) ALDH1A1HRH3SMN1; SMN2L3MBTL1MAPT

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 disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed