SCHEMBL9119939

SCHEMBL9119939

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)NC(=O)OC(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.72
LTB4R2 Q9NPC1 1/20 0.66
PRSS1 P07477 4/20 0.45
REN P00797 1/20 0.44
PLA2G4B P0C869 1/20 0.44
MAPT P10636 1/20 0.43
MCHR1 Q99705 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
BCL2L1 Q07817 2/20 0.40
MAOB P27338 1/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL9118096 0.94 LTB4R (0.78) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL9116641 0.90 LTB4R (0.75) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL9121805 0.90 LTB4R (0.77) LTB4RLTB4R2PRSS1RENPLA2G4B
SCHEMBL9119186 0.89 LTB4R (0.72) LTB4RLTB4R2PRSS1RENPLA2G4B
SCHEMBL9121783 0.87 LTB4R (0.70) LTB4RLTB4R2PRSS1RENPLA2G4B
SCHEMBL9120860 0.87 LTB4R (0.70) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL9117208 0.86 LTB4R (0.66) LTB4RLTB4R2RENPLA2G4BMAPT
SCHEMBL9120867 0.86 LTB4R (0.74) LTB4RLTB4R2PRSS1PLA2G4BMAPT
SCHEMBL9120246 0.85 LTB4R (0.67) LTB4RLTB4R2PRSS1PLA2G4BMAPT
Moxilubant SCHEMBL6439215 0.84 LTB4R (1.00) LTB4RLTB4R2PRSS1PLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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