SCHEMBL2320564

SCHEMBL2320564

Cc1ccccc1C1CC1C=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
KDM1A O60341 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 2/20 0.35
PBRM1 Q86U86 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL20068160 0.77 HTR2A (0.47) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL25058901 0.77 HTR2C (0.59) HTR2CHTR2AHTR2BKDM1ADDB1
SCHEMBL9666624 0.77 HTR2C (0.51) HTR2CHTR2AHTR2BALDH1A1SLC6A2
SCHEMBL17986437 0.77 HTR2C (0.51) HTR2CHTR2AHTR2BALDH1A1SLC6A2
SCHEMBL30014839 0.75 KDM1A (0.51) HTR2CHTR2AHTR2BKDM1AALDH1A1
SCHEMBL9442858 0.74 CHRNB4 (0.38) KDM1A
SCHEMBL15254832 0.74 SLC6A4 (0.39) HTR2CHTR2BKDM1ADDB1CRBN
SCHEMBL16232157 0.72 HTR2C (0.46) HTR2CHTR2AHTR2BKDM1ATSHR
SCHEMBL30578779 0.72 TSHR (0.45) DDB1CRBNALDH1A1TSHRSLC6A3
SCHEMBL7094448 0.71 HTR2C (0.58) HTR2CHTR2AHTR2BKDM1ATAAR1

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed