SCHEMBL7446850

SCHEMBL7446850

COc1cc(C(=O)CO)ccc1OCCCN1CCC(C(O)(c2cccc(F)c2)c2cccc(F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.51
CYP2J2 P51589 1/20 0.49
MEN1 O00255 4/20 0.48
ABCB11 O95342 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CCKBR P32239 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL10460775 0.91 ABCB11 (0.57) PAX8MEN1ABCB11CHRM2HTR1A
SCHEMBL7446953 0.91 HRH1 (0.54) PAX8CYP2J2MEN1ABCB11CHRM2
SCHEMBL7446585 0.91 PAX8 (0.53) PAX8CYP2J2ABCB11CHRM2HTR1A
SCHEMBL7432581 0.90 CYP2J2 (0.48) PAX8CYP2J2MEN1ABCB11CHRM2
SCHEMBL7442321 0.90 PAX8 (0.51) PAX8CYP2J2MEN1ABCB11CHRM2
SCHEMBL7440209 0.86 MEN1 (0.50) PAX8MEN1HTR1ADRD2HTR2A
SCHEMBL7438853 0.84 MEN1 (0.49) PAX8CYP2J2MEN1HTR1ADRD2
SCHEMBL7435001 0.83 PAX8 (0.50) PAX8CYP2J2MEN1DRD2HTR2A
SCHEMBL7331615 0.82 HRH1 (0.59) PAX8CYP2J2MEN1ABCB11CHRM2
SCHEMBL7436873 0.82 PAX8 (0.47) PAX8MEN1HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed