SCHEMBL433156

SCHEMBL433156

CC(C)COC(=O)N1CC(Oc2ncc(Cl)cc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.42
HDAC2 Q92769 1/20 0.42
PIK3CD O00329 1/20 0.39
HRH1 P35367 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.38
RIPK1 Q13546 1/20 0.37
KIT P10721 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
ACACB O00763 2/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL433502 0.85 HDAC2 (0.42) MDM2HDAC2PIK3CDHRH1SLC6A15
SCHEMBL433155 0.81 CACNB4 (0.43) MDM2PIK3CD
SCHEMBL433154 0.76 HDAC2 (0.39) HDAC2HRH1SLC6A15KITPOLB
SCHEMBL462925 0.70 HDAC2 (0.36) HDAC2PIK3CDGPR119
SCHEMBL434448 0.69 HDAC2 (0.40) HDAC2KITGPR119ACACB
SCHEMBL4191420 0.69 FAAH (0.49) KITPOLB
SCHEMBL433103 0.69 HDAC2 (0.39) HDAC2HRH1SLC6A15KITGPR119
SCHEMBL16053741 0.69 ENPP2 (0.46) HDAC2KITPOLB
SCHEMBL432988 0.68 CACNB4 (0.41) HDAC2PIK3CD
SCHEMBL19172586 0.67 FPR2 (0.42) POLB

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed