SCHEMBL9545867

SCHEMBL9545867

COC(=O)CCc1nc(CCCc2ccccc2)ccc1OCCCCc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.60
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44

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
SCHEMBL9545799 0.92 LTB4R (0.70) LTB4RFFAR1
SCHEMBL9545804 0.88 LTB4R (0.70) LTB4RFFAR1
SCHEMBL8080164 0.82 LTB4R (0.84) LTB4RFFAR1
SCHEMBL8862108 0.80 LTB4R (0.70) LTB4RFFAR1
SCHEMBL9545824 0.79 LTB4R (0.81) LTB4R
SCHEMBL8825251 0.79 LTB4R (0.53) LTB4RFFAR1
SCHEMBL8825256 0.79 LTB4R (0.53) LTB4RFFAR1
SCHEMBL8862080 0.78 LTB4R (0.61) LTB4R
SCHEMBL8825642 0.77 LTB4R (0.47) LTB4R
SCHEMBL8825645 0.77 LTB4R (0.47) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 WO disclosed