SCHEMBL8554930

SCHEMBL8554930

CON=C(C(=O)Oc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.62
PDE10A Q9Y233 5/20 0.56
ALOX5 P09917 3/20 0.54
CYSLTR1 Q9Y271 6/20 0.53
CYSLTR2 Q9NS75 3/20 0.53
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 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
SCHEMBL8555090 0.99 GPBAR1 (0.61) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8890687 0.89 GPBAR1 (0.68) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8557020 0.88 GPBAR1 (0.46) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8890262 0.87 GPBAR1 (0.62) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8557400 0.86 GPBAR1 (0.45) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8557907 0.85 ALOX5 (0.49) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8552915 0.85 GPBAR1 (0.44) GPBAR1PDE10AALOX5CYSLTR1CYSLTR2
SCHEMBL8554714 0.82 PARP10 (0.57)
SCHEMBL8555940 0.81 ADORA3 (0.41) GPBAR1PDE10AALOX5
SCHEMBL8559814 0.80 PARP10 (0.45) GPBAR1PDE10AFFAR1

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US claimed
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed