SCHEMBL8995067

SCHEMBL8995067

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(Cc3ccccc3)C(C)C)cc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.57
LTB4R2 Q9NPC1 2/20 0.54
REN P00797 11/20 0.46
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
HTR2A P28223 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
HTR2B P41595 2/20 0.45
KCNH2 Q12809 2/20 0.45
PLA2G4B P0C869 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
BCHE P06276 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9118827 0.89 LTB4R (0.73) LTB4RLTB4R2RENHTR1AADRA1D
SCHEMBL8994986 0.89 HTT (0.53) LTB4RLTB4R2PLA2G4BMAPTPOLB
Hydrochloric Acid SCHEMBL8994911 0.88 LTB4R (0.72) LTB4RLTB4R2RENHTR1AADRA1D
SCHEMBL8994887 0.85 LTB4R (0.76) LTB4RLTB4R2PLA2G4BMAPTPOLB
SCHEMBL9119310 0.83 LTB4R (0.61) LTB4RLTB4R2RENHTR1AADRA1D
SCHEMBL8994912 0.82 LTB4R (0.59) LTB4RLTB4R2PLA2G4BMAPTPOLB
SCHEMBL9118833 0.82 LTB4R (0.54) LTB4RLTB4R2RENHTR1AADRA1D
Hydrochloric Acid SCHEMBL8994925 0.81 LTB4R (0.53) LTB4RLTB4R2RENHTR1AADRA1D
SCHEMBL8994951 0.80 DRD2 (0.56) PLA2G4BMAPT
SCHEMBL8995031 0.80 LTB4R (0.56) LTB4RLTB4R2PLA2G4BMAPTBCHE

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed