SCHEMBL10922049

SCHEMBL10922049

NN1CCN=C1CCCOc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 11/20 0.53
▸ CYSLTR2 Q9NS75 9/20 0.53
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ FFAR1 O14842 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ PDE10A Q9Y233 3/20 0.46
▸ ALOX5 P09917 1/20 0.45

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
SCHEMBL10544630 0.74 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL14021528 0.72 CYSLTR1 (0.81) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL1694951 0.71 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10960033 0.71 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10547998 0.71 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10549147 0.70 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL6583310 0.70 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10446852 0.70 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10446560 0.70 CYSLTR1 (0.79) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10546327 0.70 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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