SCHEMBL9023083

SCHEMBL9023083

CCOC(=O)/C=C/c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 18/20 0.64
LTB4R2 Q9NPC1 17/20 0.64
TSPO P30536 1/20 0.40
ICMT O60725 1/20 0.40

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
SCHEMBL9023087 1.00 LTB4R (0.64) LTB4RLTB4R2TSPOICMT
SCHEMBL9022752 0.90 LTB4R (0.74) LTB4RLTB4R2TSPO
SCHEMBL9022755 0.90 LTB4R (0.74) LTB4RLTB4R2TSPO
SCHEMBL9022957 0.88 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9022953 0.88 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9023315 0.87 LTB4R (0.73) LTB4RLTB4R2
SCHEMBL9022634 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9023229 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022627 0.87 LTB4R (0.84) LTB4RLTB4R2
SCHEMBL9022865 0.85 LTB4R (0.73) LTB4RLTB4R2TSPO

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