SCHEMBL8464485

SCHEMBL8464485

O=C1c2cc(OCc3ccc4cc(F)ccc4n3)ccc2OCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
LTB4R Q15722 4/20 0.44
CYP19A1 P11511 1/20 0.42
PDE10A Q9Y233 5/20 0.42
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 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
SCHEMBL8465764 0.90 LTB4R (0.53) MAOBLTB4RPDE10AALOX5CYSLTR2
SCHEMBL8464260 0.82 LTB4R (0.66) LTB4RCYP19A1PDE10AALOX5
SCHEMBL8466345 0.82 LTB4R (0.66) LTB4RCYP19A1PDE10AALOX5
SCHEMBL8464264 0.82 LTB4R (0.66) LTB4RCYP19A1PDE10AALOX5
SCHEMBL8462119 0.81 LTB4R (0.47) MAOBLTB4RPDE10AALOX5CYSLTR2
SCHEMBL8465611 0.80 MAOB (0.55) MAOBCYP19A1MEN1NPC1CYP1A2
SCHEMBL8461585 0.79 PDE10A (0.50) LTB4RPDE10AALOX5CYSLTR2CYSLTR1
SCHEMBL9520446 0.79 CYSLTR1 (0.54) LTB4RCYSLTR2CYSLTR1
SCHEMBL8464816 0.78 CYP19A1 (0.46) LTB4RCYP19A1PDE10AHTR2BCYSLTR2
SCHEMBL8465452 0.76 LTB4R (0.50) LTB4RPDE10AALOX5CYSLTR2CYSLTR1

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 4 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-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP 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