SCHEMBL7440209

SCHEMBL7440209

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
PAX8 Q06710 1/20 0.50
KMT2A Q03164 3/20 0.49
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HRH1 P35367 1/20 0.44

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
SCHEMBL7438853 0.93 MEN1 (0.49) MEN1PAX8KMT2AHTR1ADRD2
SCHEMBL7436873 0.87 PAX8 (0.47) MEN1PAX8KMT2AHTR1ADRD2
SCHEMBL7446850 0.86 PAX8 (0.51) MEN1PAX8HTR1ADRD2HTR2A
SCHEMBL10460775 0.86 ABCB11 (0.57) MEN1PAX8KMT2AHTR1ADRD2
Oxalic Acid SCHEMBL7434750 0.85 PAX8 (0.54) PAX8HTR1ADRD2HTR2AHRH3
SCHEMBL7446953 0.85 HRH1 (0.54) MEN1PAX8HTR1ADRD2HTR2A
SCHEMBL7442321 0.84 PAX8 (0.51) MEN1PAX8KMT2AHTR1ADRD2
SCHEMBL7435001 0.83 PAX8 (0.50) MEN1PAX8KMT2ADRD2HTR2A
SCHEMBL10461659 0.82 PAX8 (0.50) PAX8HTR1ADRD2HTR2AHRH3
SCHEMBL7432581 0.81 CYP2J2 (0.48) MEN1PAX8HTR1ADRD2HTR2A

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