SCHEMBL2359930

SCHEMBL2359930

Cc1ccc(C2CC2[C]=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
TDP1 Q9NUW8 1/20 0.36
GRIA4 P48058 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
SCHEMBL2324654 0.79 KDM1A (0.52) HTR2CHTR2BCYP3A4CYP2C9CYP2C19
SCHEMBL2360387 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9544430 0.79 HTR2A (0.44) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL2321920 0.79 KDM1A (0.56) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3198056 0.78 MAOB (0.48) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL2321966 0.78 MAOB (0.48) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL4262044 0.78 MAOB (0.48) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL2326665 0.74 SLC6A2 (0.42) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL10527956 0.71 FFAR1 (0.41) FFAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL10527962 0.71 FFAR1 (0.41) FFAR1HTR2AHTR2CHTR2BALDH1A1

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