SCHEMBL3469308

SCHEMBL3469308

CN1C(=O)CN(C(=O)OCc2cc(COC3CCCCO3)c(OCc3ccccc3)cc2F)C1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.35
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 1/20 0.34
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.33
CNR2 P34972 1/20 0.33
ACACB O00763 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PREP P48147 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL1980978 0.77 CCR5 (0.38) CREBBPEP300
SCHEMBL3060797 0.76 CFTR (0.33) CFTRCREBBPEP300CNR2ACACB
SCHEMBL14735919 0.75 CCR5 (0.40) CREBBP
SCHEMBL25911018 0.74 HTR2C (0.48) PDK1PDK2PDK3PDK4
SCHEMBL7648974 0.74 HTR2C (0.48) PDK1PDK2PDK3PDK4
SCHEMBL1979487 0.72 CCR5 (0.45)
SCHEMBL12589243 0.70 MEN1 (0.32)
SCHEMBL1979353 0.65 TRPV3 (0.35) KLK7KLK5
SCHEMBL5940773 0.65 CCR5 (0.40) CREBBPEP300
SCHEMBL12438192 0.65 MEN1 (0.40) CREBBPCNR2SIGMAR1

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
EP-2220049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA -METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2010-08-25 EP disclosed
WO-2009071049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2009-06-11 WO disclosed