SCHEMBL6141526

SCHEMBL6141526

Cc1ccccc1-c1ccc(OCCC2CCCN2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.39
CHEK1 O14757 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHEK2 O96017 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL5218328 0.78 PTGDR2 (0.48) CHEK1CHRNB4CHRNA3CHEK2MKNK1
SCHEMBL4854885 0.77 TDP1 (0.56) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11466925 0.77 CHRNB4 (0.54) CHRNB4CHRNA3ALDH1A1CHRNB2CHRNA4
SCHEMBL6110644 0.76 LTA4H (0.53) SSTR2CHEK2
SCHEMBL4849189 0.75 CYP2D6 (0.53) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5701841 0.75 KDM4E (0.42) CHRNB4CHRNA3KDM4EMEN1ALDH1A1
SCHEMBL4856576 0.74 CYP2D6 (0.52) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4845580 0.74 SLC6A9 (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11457727 0.73 PIM1 (0.49) SSTR2CHRNB4CHRNA3KMT2ACHRNB2
SCHEMBL4852186 0.73 SLC6A9 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A

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-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed