SCHEMBL10543748

SCHEMBL10543748

FC(F)(F)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.64
CYSLTR2 Q9NS75 6/20 0.64
GPBAR1 Q8TDU6 7/20 0.62
PDE10A Q9Y233 1/20 0.59

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
SCHEMBL10636229 0.85 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10663420 0.85 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10632764 0.84 CYSLTR1 (0.70) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10655893 0.82 CYSLTR1 (0.70) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9081303 0.82 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10513942 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9447146 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10632386 0.81 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10635391 0.81 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8171622 0.81 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223368-A1 Substituted naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-27 EP claimed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
US-4732978-A RESPIRATORY SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-03-22 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
EP-0223368-A1 Substituted naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-27 EP disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed