SCHEMBL2179422

SCHEMBL2179422

CCOC(=O)C(C#N)C(CC)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.43
AOC3 Q16853 1/20 0.42
MTNR1B P49286 5/20 0.41
MTNR1A P48039 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL7247644 0.89 L3MBTL1 (0.44) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL2178503 0.83 L3MBTL1 (0.54) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL622042 0.82 L3MBTL1 (0.50) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL2178071 0.82 L3MBTL1 (0.53) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL2177637 0.78 CASR (0.44) L3MBTL1KMT2AAOC3MTNR1BMTNR1A
SCHEMBL2178067 0.78 AOC3 (0.43) L3MBTL1ALDH1A1KMT2AAOC3MTNR1B
SCHEMBL4661450 0.78 MAPK1 (0.41) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL13522787 0.77 L3MBTL1 (0.53) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL9326518 0.77 KDM4E (0.58) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL1433326 0.77 L3MBTL1 (0.56) L3MBTL1MAPK1ALDH1A1TSHRTDP1

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
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed