SCHEMBL5745016

SCHEMBL5745016

CNCCCOc1cccc2oc3ccccc3c12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.61
HRH1 P35367 2/20 0.61
HTR1B P28222 6/20 0.55
HTR1D P28221 1/20 0.55
ADRB2 P07550 2/20 0.50
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NR2E1 Q9Y466 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL5744798 0.95 HTR1B (0.60) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL5748462 0.89 MAOA (0.59) SLC6A4HRH1HTR1BHTR1DCYP3A4
SCHEMBL5746754 0.86 HRH1 (0.56) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL5749350 0.86 HTR1B (0.57) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL5748338 0.85 HTR1B (0.58) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL5749472 0.85 MAOA (0.61) SLC6A4HRH1HTR1BHTR1DCYP3A4
SCHEMBL5748148 0.84 HTR1B (0.62) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL12967977 0.83 CDC25A (0.52) HTR1BHTR1DADRB2CYP1A2CYP2C9
SCHEMBL5748395 0.83 HTR1B (0.63) SLC6A4HRH1HTR1BHTR1DADRB2
SCHEMBL5748119 0.82 HTR1B (0.55) SLC6A4HRH1HTR1BHTR1DLMNA

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