SCHEMBL6141027

SCHEMBL6141027

CN(C)CCOCCc1ccc(-c2ccccc2)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LSS P48449 2/20 0.40
ESR1 P03372 1/20 0.38
SLC6A9 P48067 2/20 0.37
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HRH1 P35367 1/20 0.35
MCHR1 Q99705 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
SCHEMBL4853715 0.79 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4852503 0.79 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL5915596 0.78 TAAR1 (0.49) USP2ALDH1A1KDM4EMEN1MAPT
SCHEMBL6983619 0.76 MAPT (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6141669 0.73 TAAR1 (0.60) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13037433 0.70 TAAR1 (0.50) USP2ALDH1A1KDM4EMEN1MAPT
SCHEMBL8175589 0.70 KDM4E (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4849767 0.68 KDM4E (0.47) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4849200 0.68 KDM4E (0.47) ADRB2ADRB1ALDH1A1KDM4EMEN1
SCHEMBL3221593 0.67 MEN1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A

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