SCHEMBL8891775

SCHEMBL8891775

Nc1cccc(CC2COc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL8897640 0.83 CYSLTR1 (0.52) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL8899909 0.82 CYSLTR1 (0.51) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL8899906 0.82 CYSLTR1 (0.51) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL8889702 0.82 LTB4R (0.63) LTB4RCYSLTR1CYSLTR2
SCHEMBL8180239 0.75 CYSLTR1 (0.51) MAOBCYSLTR1GPBAR1CYSLTR2
SCHEMBL8890400 0.74 LTB4R (0.41) LTB4R
SCHEMBL8889659 0.74 LTB4R (0.44) LTB4RCYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL8888617 0.72 LTB4R (0.76) LTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL8889966 0.69 NR4A2 (0.53) CYSLTR1
SCHEMBL8898714 0.68 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5AP

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