SCHEMBL9458455

SCHEMBL9458455

BrCC1(c2ccccc2)OCC(c2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM5 P08912 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL11451929 0.91 TSHR (0.37) TSHR
SCHEMBL751259 0.84 TSHR (0.41) TSHRGRIN1GRIN2ACHRM2CHRM4
SCHEMBL11451919 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL28603091 0.79 GRIN1 (0.43) GRIN1GRIN2ACHRM2CHRM4CHRM1
SCHEMBL28599785 0.79 GRIN1 (0.43) GRIN1GRIN2ACHRM2CHRM4CHRM1
SCHEMBL11463719 0.78 THRB (0.39)
SCHEMBL2109364 0.77 HTR1A (0.39)
SCHEMBL11454301 0.77 CYP3A4 (0.40) TSHRSLC6A4SLC6A3
SCHEMBL12132792 0.76 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM1
SCHEMBL12132793 0.76 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266585-A Controlling phytopathogenic microorganisms, fungicides, antimycotics, anticonvulsives and/or anxiolytic agents CIBA-GEIGY CORPORATION (US) 1993-11-30 US disclosed
EP-0443980-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
EP-0215307-B1 PYRIMIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES CIBA-GEIGY AG (CH) 1991-07-24 EP disclosed
US-4940806-A Microbicides CIBA-GEIGY CORPORATION (US) 1990-07-10 US disclosed
EP-0065485-B1 ARYLPHENYL ETHER DERIVATIVES AS MICROBICIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
US-4859687-A Substituted 1,3-dioxolane compounds and their use as fungicides CIBA-GIEGY CORPORATION (US) 1989-08-22 US disclosed
US-4853399-A Microbicidal triazolyl phenylethanone ketals CIBA-GEIGY CORPORATION (US) 1989-08-01 US disclosed
EP-0129507-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1989-02-01 EP disclosed
EP-0296518-A1 Phenyl-ether derivatives, process for their preparation and application CIBA-GEIGY AG (CH) 1988-12-28 EP disclosed
US-4727075-A Fungicidal 5-substituted pyrimidine derivatives, compositions, and method of use therefor CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4156008-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-05-22 US disclosed
US-4154738-A 1-(2-AR-4-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL-METHYL)-IMIDAZOLES, FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-05-15 US disclosed
US-4141908-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-02-27 US disclosed
US-4139540-A FUNGICIDE, BACTERICIDE INTERMEDIATE JANSSEN PHARMACEUTICA N.V. (BE) 1979-02-13 US disclosed
US-4120869-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1978-10-17 US disclosed
US-4119641-A ANTIFUNGAL, ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1978-10-10 US disclosed
US-4101665-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1978-07-18 US disclosed
US-4101664-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1978-07-18 US disclosed
US-4101666-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1978-07-18 US disclosed
US-3936470-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1976-02-03 US disclosed