SCHEMBL9023728

SCHEMBL9023728

COC(=O)CCc1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.85
LTB4R2 Q9NPC1 18/20 0.85
HTR6 P50406 1/20 0.47

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
SCHEMBL9022843 0.92 LTB4R (0.84) LTB4RLTB4R2HTR6
SCHEMBL9023408 0.92 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9023265 0.91 LTB4R (0.88) LTB4RLTB4R2HTR6
SCHEMBL9023221 0.91 LTB4R (0.81) LTB4RLTB4R2HTR6
SCHEMBL9526029 0.90 LTB4R (0.77) LTB4RLTB4R2HTR6
SCHEMBL9526751 0.90 LTB4R (0.92) LTB4RLTB4R2HTR6
SCHEMBL9023363 0.89 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL9023465 0.88 LTB4R (0.92) LTB4RLTB4R2
SCHEMBL9022788 0.88 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL9023361 0.87 LTB4R (0.81) LTB4RLTB4R2

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-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed