SCHEMBL8890412

SCHEMBL8890412

Nc1cccc(CC2CCc3ccc(OCc4ccc5ccccc5n4)cc3C2O)c1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.53
CYSLTR1 Q9Y271 6/20 0.48
GPBAR1 Q8TDU6 3/20 0.48
CYSLTR2 Q9NS75 3/20 0.46
ALOX5 P09917 1/20 0.44
PDE10A Q9Y233 1/20 0.43
ALOX5AP P20292 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
SCHEMBL8466275 0.91 LTB4R (0.58) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8462851 0.91 LTB4R (0.58) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8889659 0.91 LTB4R (0.44) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL8889158 0.91 LTB4R (0.44) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5
Hydrochloric Acid SCHEMBL8465778 0.90 LTB4R (0.57) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
Hydrochloric Acid SCHEMBL8465772 0.90 LTB4R (0.57) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8465622 0.86 LTB4R (0.72) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8462004 0.86 LTB4R (0.72) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8465625 0.86 LTB4R (0.72) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL8461998 0.86 LTB4R (0.72) LTB4RCYSLTR1GPBAR1CYSLTR2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed