SCHEMBL3769664

SCHEMBL3769664

CCOC(=O)C1CCC(Oc2ncccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL12702468 0.87 SSTR4 (0.42) KDM4EALDH1A1L3MBTL1FFAR4
SCHEMBL1589578 0.87 SSTR4 (0.42) KDM4EALDH1A1L3MBTL1FFAR4
SCHEMBL1589577 0.87 SSTR4 (0.42) KDM4EALDH1A1L3MBTL1FFAR4
SCHEMBL1588985 0.83 FFAR4 (0.43) CYP2C19KDM4EFFAR4
SCHEMBL12702370 0.83 FFAR4 (0.43) CYP2C19KDM4EFFAR4
SCHEMBL1588988 0.83 FFAR4 (0.43) CYP2C19KDM4EFFAR4
SCHEMBL2546557 0.81 CYP2C19 (0.49) CYP2C19POLBKDM4ESMN1; SMN2TSHR
SCHEMBL2546555 0.81 CYP2C19 (0.49) CYP2C19POLBKDM4ESMN1; SMN2TSHR
SCHEMBL2166026 0.80 KDM4E (0.54) POLBKDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL17869723 0.80 CYP2C19 (0.49) CYP2C19POLBKDM4ETSHRALDH1A1

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-2190840-A2 CHEMICAL COMPOUNDS 979 AstraZeneca AB (SE) 2010-06-02 EP disclosed
WO-2009024821-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed