SCHEMBL874701

SCHEMBL874701

CCC(C(C)Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
GPR17 Q13304 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL1826211 0.85 ALDH1A1 (0.42) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1824240 0.85 ALDH1A1 (0.44) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL4599792 0.82 ALDH1A1 (0.47) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1824312 0.75 GPR17 (0.43) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1823435 0.75 L3MBTL1 (0.42) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1825788 0.74 ALDH1A1 (0.47) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1827598 0.74 SIGMAR1 (0.49) ALDH1A1HPGDLMNAGPR17L3MBTL1
SCHEMBL1828347 0.74 GAA (0.49) ALDH1A1MEN1KMT2AGPR17MAPT
SCHEMBL3573281 0.73 ACHE (0.50) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL874700 0.73 SLC22A1 (0.51) ALDH1A1DRD2DRD1DRD4DRD5

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-2619174-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE Ind-Swift Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed