SCHEMBL9564337

SCHEMBL9564337

CCC(=O)c1cccc2c1N(C(C)=O)C(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
NOTUM Q6P988 1/20 0.40
PDK1 Q15118 6/20 0.39
PDK2 Q15119 6/20 0.39
PDK3 Q15120 6/20 0.39
PDK4 Q16654 6/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
HTR1A P08908 3/20 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
SCHEMBL9951079 0.75 NOTUM (0.41) DRD2NOTUMPDK1PDK2PDK3
SCHEMBL30366703 0.71 NOTUM (0.71) DRD2NOTUMPDK1PDK2PDK3
SCHEMBL1825815 0.71 NOTUM (0.71) DRD2NOTUMPDK1PDK2PDK3
SCHEMBL30366447 0.71 NOTUM (0.71) DRD2NOTUMPDK1PDK2PDK3
SCHEMBL17018045 0.71 NOTUM (0.71) DRD2NOTUMPDK1PDK2PDK3
SCHEMBL9564334 0.71 ALDH1A1 (0.51) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL9243805 0.71 GAA (0.44) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL15984778 0.68 POLB (0.59) DRD2PDK1PDK2PDK3PDK4
SCHEMBL18602588 0.68 HTR2C (0.42) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL29521270 0.68 POLB (0.59) DRD2PDK1PDK2PDK3PDK4

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
EP-0555183-A1 Pesticides CIBA-GEIGY AG (CH) 1993-08-11 EP disclosed