SCHEMBL9023713

SCHEMBL9023713

COC(=O)C=Cc1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.85
LTB4R2 Q9NPC1 19/20 0.85

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
SCHEMBL9141658 1.00 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL9023229 0.92 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022634 0.92 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022627 0.92 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL6759616 0.92 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL6759618 0.92 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9023316 0.91 LTB4R (0.88) LTB4RLTB4R2
SCHEMBL9140103 0.91 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL9524838 0.90 LTB4R (0.78) LTB4RLTB4R2
SCHEMBL9524451 0.90 LTB4R (0.92) 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