SCHEMBL5745160

SCHEMBL5745160

CCN(CC)CCOc1cccc2c1c1ccccc1c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
HRH1 P35367 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL5745052 0.94 SLC6A4 (0.46) HTR1BHTR1DKDM4EALDH1A1HSD17B10
SCHEMBL5746113 0.85 MAPT (0.49) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL5749144 0.82 HTR1B (0.48) HTR1BKDM4ELMNATP53MAPT
SCHEMBL5748300 0.81 HTR1B (0.56) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL5747032 0.81 HTR1B (0.49) HTR1BALDH1A1LMNAMAPTGAA
SCHEMBL5747008 0.81 HTR1B (0.56) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL5747450 0.80 HTR1B (0.52) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL5745853 0.80 HTR1B (0.53) HTR1BKDM4EALDH1A1LMNADRD2
SCHEMBL5750596 0.79 HRH1 (0.53) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL11377835 0.78 SLC6A4 (0.50) HTR1BHTR1DKDM4EALDH1A1LMNA

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 4 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
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