SCHEMBL8834948

SCHEMBL8834948

NOC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)CCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.62
FFAR1 O14842 1/20 0.61
AKR1B1 P15121 1/20 0.61
CYSLTR2 Q9NS75 13/20 0.59
GPBAR1 Q8TDU6 1/20 0.53
ALOX5 P09917 1/20 0.53
PDE10A Q9Y233 1/20 0.52

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
SCHEMBL8834305 0.85 CYSLTR1 (0.69) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL8834954 0.82 CYSLTR1 (0.60) CYSLTR1FFAR1AKR1B1CYSLTR2ALOX5
SCHEMBL8890067 0.81 CYSLTR1 (0.63) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL7095887 0.80 CYSLTR1 (0.79) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL10446560 0.80 CYSLTR1 (0.79) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL10446852 0.80 CYSLTR1 (0.75) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL8834670 0.79 CYSLTR1 (0.66) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL8965285 0.78 ALOX5 (0.65) CYSLTR1FFAR1AKR1B1CYSLTR2ALOX5
SCHEMBL10544473 0.78 CYSLTR1 (0.84) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1
SCHEMBL9459982 0.78 FFAR1 (0.62) CYSLTR1FFAR1AKR1B1CYSLTR2GPBAR1

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
US-5668146-A ANTIINFLAMMATORY AGENTS OR ANTIALLERGENS ABBOTT LABORATORIES (US) 1997-09-16 US disclosed