SCHEMBL9023288

SCHEMBL9023288

CCOC(=O)C=Cc1cn(Cc2ccccc2)c2ccc(OCC(=O)N(C)CCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.64
LTB4R2 Q9NPC1 13/20 0.64
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL9023315 0.94 LTB4R (0.73) LTB4RLTB4R2
SCHEMBL9023563 0.91 LTB4R (0.76) LTB4RLTB4R2
SCHEMBL9023552 0.88 LTB4R (0.74) LTB4RLTB4R2ALDH1A1MAPTHPGD
SCHEMBL9022634 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023229 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022627 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022958 0.85 LTB4R (0.87) LTB4RLTB4R2
SCHEMBL9022953 0.85 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9022957 0.85 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9023182 0.85 LTB4R (0.79) 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