SCHEMBL9023142

SCHEMBL9023142

CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2c(Br)cccc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.60
LTB4R2 Q9NPC1 16/20 0.60
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9023118 0.89 LTB4R (0.74) LTB4RLTB4R2HCRTR1HCRTR2
SCHEMBL9023120 0.89 LTB4R (0.74) LTB4RLTB4R2HCRTR1HCRTR2
SCHEMBL9023049 0.85 LTB4R (0.58) LTB4RLTB4R2ALDH1A1
SCHEMBL9023052 0.85 LTB4R (0.58) LTB4RLTB4R2ALDH1A1
SCHEMBL9023243 0.85 LTB4R (0.63) LTB4RLTB4R2
SCHEMBL9023246 0.85 LTB4R (0.63) LTB4RLTB4R2
SCHEMBL9022885 0.84 LTB4R (0.81) LTB4RLTB4R2
SCHEMBL9022865 0.76 LTB4R (0.73) LTB4RLTB4R2ALDH1A1
SCHEMBL9023389 0.75 LTB4R (0.71) LTB4RLTB4R2
SCHEMBL9023381 0.75 LTB4R (0.71) 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 5 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
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed