SCHEMBL8987273

SCHEMBL8987273

c1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(OCCCCCc3nnn[nH]3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.65
LTB4R2 Q9NPC1 2/20 0.51
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL8987246 0.86 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL8987236 0.82 LTB4R (0.67) LTB4RLTB4R2ADORA3ADORA2AADORA1
SCHEMBL6759178 0.81 LTB4R (0.79) LTB4RADORA3ADORA2AADORA1
SCHEMBL8987320 0.79 LTB4R (1.00) LTB4R
SCHEMBL8987214 0.79 LTB4R (0.72) LTB4RADORA3ADORA2AADORA1
SCHEMBL6759665 0.77 LTB4R (0.70) LTB4RADORA3ADORA2AADORA1
SCHEMBL6762408 0.75 LTB4R (0.75) LTB4RADORA3ADORA2AADORA1
SCHEMBL8987001 0.74 LTB4R (0.79) LTB4R
SCHEMBL8987047 0.74 LTB4R (1.00) LTB4R
SCHEMBL6757553 0.74 LTB4R (1.00) LTB4R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed