SCHEMBL8994947

SCHEMBL8994947

CCN(CC)C(=O)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.76
LTB4R2 Q9NPC1 1/20 0.68
PRSS1 P07477 7/20 0.64
F2 P00734 3/20 0.53
ST14 Q9Y5Y6 3/20 0.53
PLAU P00749 2/20 0.53
PRMT1 Q99873 3/20 0.52
PRMT5 O14744 1/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
TMPRSS2 O15393 1/20 0.52
PTP4A3 O75365 1/20 0.52
SLC22A3 O75751 1/20 0.52
F10 P00742 1/20 0.52
PLG P00747 1/20 0.52
S100B P04271 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52

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
Hydrochloric Acid SCHEMBL8995070 0.99 LTB4R (0.74) LTB4RLTB4R2PRSS1F2ST14
Hydrochloric Acid SCHEMBL8994957 0.96 LTB4R (0.69) LTB4RLTB4R2PRSS1F2ST14
Hydrochloric Acid SCHEMBL8995026 0.91 LTB4R (0.71) LTB4RLTB4R2PRSS1F2ST14
Hydrochloric Acid SCHEMBL8994899 0.88 LTB4R (0.77) LTB4RLTB4R2PRSS1F2ST14
Moxilubant SCHEMBL29388138 0.86 LTB4R (1.00) LTB4RLTB4R2PRSS1F2ST14
Moxilubant SCHEMBL6439215 0.86 LTB4R (1.00) LTB4RLTB4R2PRSS1F2ST14
Moxilubant SCHEMBL8994884 0.85 LTB4R (0.98) LTB4RLTB4R2PRSS1F2ST14
Hydrochloric Acid SCHEMBL8994944 0.85 PRSS1 (0.68) PRSS1F2ST14PLAUPRMT1
SCHEMBL8994962 0.83 LTB4R (0.54) LTB4RLTB4R2PRSS1ACHEPLA2G4B
Hydrochloric Acid SCHEMBL8995010 0.83 LTB4R (0.69) LTB4RLTB4R2PRSS1F2ST14

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 3 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 claimed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP claimed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP claimed