SCHEMBL9727775

SCHEMBL9727775

Oc1ccc2c(c1)CC(CCc1ccc(Cl)cc1)O2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CA3 P07451 1/20 0.40
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL5502112 0.87 DRD2 (0.45) DRD4
SCHEMBL9727764 0.78 IGF1R (0.35) TBXA2RHRH4HRH3
SCHEMBL5542006 0.78 SHBG (0.48) HRH4HRH3MEN1MAPTKMT2A
SCHEMBL9727481 0.77 HRH3 (0.42) TBXA2RHRH4HRH3
SCHEMBL5548100 0.75 SHBG (0.43) HRH4HRH3MEN1MAPTKMT2A
SCHEMBL7798235 0.74 FFAR4 (0.52) DPP4ESR1ESR2
SCHEMBL5536727 0.74 GRM2 (0.44) HRH4HRH3DRD4
SCHEMBL5536594 0.74 MEN1 (0.50) HRH4HRH3MEN1MAPTKMT2A
SCHEMBL5537748 0.73 GRM2 (0.46) HRH4HRH3DRD4
SCHEMBL7290115 0.73 HRH3 (0.54) TBXA2RHRH4HRH3MAPTDRD4

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-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed