SCHEMBL8030940

SCHEMBL8030940

O=C1c2cc(OCc3ccc4ccccc4n3)ccc2OCC1CCC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.45
LTB4R Q15722 4/20 0.45
PDE10A Q9Y233 3/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYSLTR1 Q9Y271 3/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
CYSLTR2 Q9NS75 2/20 0.41

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
SCHEMBL8029254 0.85 GPBAR1 (0.53) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8029108 0.85 CYSLTR1 (0.48) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8465764 0.84 LTB4R (0.53) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8029310 0.83 CYSLTR1 (0.55) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL8461585 0.83 PDE10A (0.50) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8029286 0.82 ALOX5 (0.46) ALOX5LTB4RPDE10AHDAC6CYSLTR1
SCHEMBL8032646 0.81 CYSLTR1 (0.47) LTB4RCYSLTR1CYSLTR2
SCHEMBL8462119 0.80 LTB4R (0.47) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8464264 0.80 LTB4R (0.66) ALOX5LTB4RPDE10A
SCHEMBL8466345 0.80 LTB4R (0.66) ALOX5LTB4RPDE10A

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-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed