SCHEMBL8462006

SCHEMBL8462006

O[C@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 1.00
PDE10A Q9Y233 1/20 0.49
ALOX5AP P20292 1/20 0.48
CYSLTR1 Q9Y271 3/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL8466123 1.00 LTB4R (1.00) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL8462437 1.00 LTB4R (1.00) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL8466125 1.00 LTB4R (1.00) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL8465975 1.00 LTB4R (1.00) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8465516 0.99 LTB4R (0.98) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8462376 0.99 LTB4R (0.98) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8462371 0.99 LTB4R (0.98) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8462372 0.99 LTB4R (0.98) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8465522 0.99 LTB4R (0.98) LTB4RPDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL8522460 0.93 LTB4R (1.00) LTB4RPDE10AALOX5APCYSLTR1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916226-A Optical resolution method for 3S-(3-pyridylmethyl)-6-(2-quinolyl)-methoxy-4S-chromanol PFIZER INC. (US) 1990-04-10 US claimed
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
US-4916226-A Optical resolution method for 3S-(3-pyridylmethyl)-6-(2-quinolyl)-methoxy-4S-chromanol PFIZER INC. (US) 1990-04-10 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