SCHEMBL8140403

SCHEMBL8140403

Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c2cc(C#N)c(=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.46
CYSLTR1 Q9Y271 4/20 0.44
PPARG P37231 1/20 0.43
ALOX5 P09917 2/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYSLTR2 Q9NS75 3/20 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
SCHEMBL8144381 0.92 CYSLTR1 (0.47) CYSLTR1ALOX5CYSLTR2
SCHEMBL8801249 0.89 GPBAR1 (0.46) PDE10ACYSLTR1ALOX5FFAR1AKR1B1
SCHEMBL8801425 0.87 PDE10A (0.48) PDE10ACYSLTR1PPARGALOX5FFAR1
SCHEMBL8139281 0.85 GPBAR1 (0.49) PDE10ACYSLTR1PPARGALOX5FFAR1
SCHEMBL8140395 0.85 CYSLTR1 (0.54) CYSLTR1ALOX5CYSLTR2
SCHEMBL8139297 0.81 PDE10A (0.45) PDE10ACYSLTR1PPARGCYSLTR2
SCHEMBL8144944 0.77 CYSLTR1 (0.52) CYSLTR1ALOX5CYSLTR2
SCHEMBL8802493 0.76 CYSLTR1 (0.52) PDE10ACYSLTR1ALOX5CYSLTR2
SCHEMBL8140561 0.74 CYSLTR1 (0.44) CYSLTR1ALOX5CYSLTR2
SCHEMBL7497174 0.74 PDE10A (0.44) PDE10ACYSLTR1ALOX5CYSLTR2

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-6011033-A ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION KOWA CO., LTD. (JP) 2000-01-04 US disclosed
US-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 US disclosed
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed