SCHEMBL8995032

SCHEMBL8995032

CCNC(=O)c1ccc(OCCCCCOc2ccc(C(=N)OCC)cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.51
LTB4R Q15722 2/20 0.51
PLA2G4B P0C869 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PRSS1 P07477 2/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL8995065 0.92 SMPD1 (0.57) SMPD1LTB4RPLA2G4BMEN1KMT2A
SCHEMBL8994906 0.92 LTB4R (0.53) SMPD1LTB4RPLA2G4BMEN1KMT2A
SCHEMBL8994951 0.88 DRD2 (0.56) PLA2G4BDRD2DRD3HRH3L3MBTL1
Hydrochloric Acid SCHEMBL8994868 0.86 LTB4R (0.65) SMPD1LTB4RPRSS1DRD2DRD3
SCHEMBL8994912 0.84 LTB4R (0.59) LTB4RPLA2G4BPRSS1MAPTLTB4R2
SCHEMBL8995031 0.82 LTB4R (0.56) SMPD1LTB4RPLA2G4BPRSS1MAPT
SCHEMBL8994887 0.82 LTB4R (0.76) LTB4RPLA2G4BPRSS1MAPTLTB4R2
SCHEMBL8995063 0.81 HPGD (0.65) LTB4RPLA2G4BMEN1KMT2APRSS1
SCHEMBL8994972 0.80 HPGD (0.64) LTB4RPLA2G4BMEN1KMT2ADRD3
Hydrochloric Acid SCHEMBL8994881 0.79 SMPD1 (0.51) SMPD1LTB4RPLA2G4BMEN1KMT2A

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