SCHEMBL8000170

SCHEMBL8000170

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](N)CO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP51A1 Q16850 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
STAT6 P42226 1/20 0.40
HPGD P15428 1/20 0.40
PYGL P06737 1/20 0.39
PLD1 Q13393 1/20 0.39
CCKBR P32239 3/20 0.39
CNR2 P34972 1/20 0.39
PLD2 O14939 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
SCHEMBL14964347 0.88 DRD2 (0.47) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL1931738 0.88 DRD2 (0.47) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL1931303 0.88 DRD2 (0.47) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL1931683 0.88 DRD2 (0.47) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL19856894 0.85 DRD2 (0.45) DRD2CYP51A1TAS1R3TAS1R1STAT6
SCHEMBL19856892 0.85 DRD2 (0.45) DRD2CYP51A1TAS1R3TAS1R1STAT6
SCHEMBL1929666 0.85 PARP1 (0.45) DRD2CYP51A1TAS1R3TAS1R1STAT6
SCHEMBL19856906 0.84 DRD2 (0.45) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL1931673 0.83 DRD2 (0.42) DRD2GAAKDM4EALDH1A1MAPK1
SCHEMBL19856968 0.83 CCKBR (0.44) DRD2KDM4ECYP51A1TAS1R3TAS1R1

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-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed