SCHEMBL10543170

SCHEMBL10543170

c1ccc2nc(COc3ccc(OCCCNC4=NCCO4)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.52
▸ CYSLTR2 Q9NS75 8/20 0.52
▸ GPBAR1 Q8TDU6 4/20 0.50
▸ PDE10A Q9Y233 3/20 0.46
▸ ALOX5 P09917 2/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43

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
SCHEMBL10546300 0.79 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL6368944 0.76 DRD4 (0.45) —
SCHEMBL10544630 0.74 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL9719789 0.71 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL9865828 0.71 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10547998 0.70 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10549147 0.69 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL6583310 0.69 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10922049 0.69 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10545819 0.69 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 — — 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
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