SCHEMBL8461585

SCHEMBL8461585

O=C1c2cc(OCc3ccc4ccccc4n3)ccc2OCC1Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
LTB4R Q15722 6/20 0.49
ALOX5 P09917 2/20 0.46
ALOX5AP P20292 1/20 0.43
CYSLTR1 Q9Y271 3/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
CYSLTR2 Q9NS75 2/20 0.42

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
SCHEMBL8465764 0.89 LTB4R (0.53) PDE10ALTB4RALOX5CYSLTR1GPBAR1
SCHEMBL8348183 0.87 LTB4R (0.43) PDE10ALTB4R
SCHEMBL8464260 0.86 LTB4R (0.66) PDE10ALTB4RALOX5ALOX5AP
SCHEMBL8466345 0.86 LTB4R (0.66) PDE10ALTB4RALOX5ALOX5AP
SCHEMBL8464264 0.86 LTB4R (0.66) PDE10ALTB4RALOX5ALOX5AP
SCHEMBL8462119 0.85 LTB4R (0.47) PDE10ALTB4RALOX5CYSLTR1GPBAR1
SCHEMBL9520559 0.83 PDE10A (0.49) PDE10ALTB4RALOX5ALOX5APCYSLTR1
SCHEMBL8030940 0.83 ALOX5 (0.45) PDE10ALTB4RALOX5CYSLTR1GPBAR1
SCHEMBL8029254 0.83 GPBAR1 (0.53) PDE10ALTB4RALOX5CYSLTR1GPBAR1
SCHEMBL8465611 0.82 MAOB (0.55)

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-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed