SCHEMBL8965369

SCHEMBL8965369

O=C(O)C1(C2CCCc3cc(OCc4ccc5ccccc5n4)ccc32)NO1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
ALOX5AP P20292 6/20 0.48
ALOX5 P09917 4/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.46

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
SCHEMBL8801596 0.79 PDE10A (0.53) CYSLTR1GPBAR1ALOX5APALOX5HDAC6
SCHEMBL9493090 0.78 ALOX5 (0.50) CYSLTR1GPBAR1ALOX5HDAC6
SCHEMBL9492165 0.77 CYSLTR1 (0.51) CYSLTR1GPBAR1ALOX5APALOX5HDAC6
SCHEMBL9490780 0.77 CYSLTR1 (0.50) CYSLTR1GPBAR1ALOX5APALOX5HDAC6
SCHEMBL8801993 0.75 PDE10A (0.51) CYSLTR1GPBAR1ALOX5APALOX5HDAC6
SCHEMBL9598096 0.73 ALOX5 (0.52) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL10682896 0.73 ALOX5AP (0.54) CYSLTR1GPBAR1ALOX5APALOX5HDAC6
SCHEMBL10587917 0.70 CYSLTR1 (0.57) CYSLTR1GPBAR1ALOX5APCYSLTR2
SCHEMBL8964963 0.70 ALOX5 (0.67) ALOX5HDAC6
Hydroxyamine SCHEMBL8967003 0.70 CYSLTR1 (0.43) CYSLTR1GPBAR1ALOX5APALOX5CYSLTR2

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-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed