SCHEMBL8462467

SCHEMBL8462467

C[C@H]1Cc2ncc(OCc3ccc4ccccc4n3)cc2C(=O)[C@@H]1Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.49
PDE10A Q9Y233 5/20 0.45
ALOX5AP P20292 1/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL8462469 1.00 LTB4R (0.49) LTB4RPDE10AALOX5APCYSLTR1GPBAR1
SCHEMBL8462463 1.00 LTB4R (0.49) LTB4RPDE10AALOX5APCYSLTR1GPBAR1
SCHEMBL8029124 0.83 GPBAR1 (0.49) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8032678 0.83 GPBAR1 (0.49) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8032680 0.83 GPBAR1 (0.49) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8461158 0.79 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8461154 0.79 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8461147 0.79 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL8032722 0.76 CYSLTR1 (0.49) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2
SCHEMBL8029321 0.76 GPBAR1 (0.53) PDE10AALOX5APCYSLTR1GPBAR1CYSLTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 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