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SCHEMBL9022947

SCHEMBL9022947

CCC(=Cc1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 20/20 1.00
▸ LTB4R2 Q9NPC1 19/20 1.00

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
SCHEMBL9022946 1.00 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9023013 0.93 LTB4R (0.86) LTB4RLTB4R2
SCHEMBL9023018 0.93 LTB4R (0.86) LTB4RLTB4R2
SCHEMBL9023388 0.90 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9022846 0.90 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9022885 0.87 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL9022935 0.86 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022827 0.86 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023278 0.85 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9022703 0.85 LTB4R (1.00) 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