SCHEMBL3722963

SCHEMBL3722963

CC(C)(C)c1ccnc2c1CN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
RBP4 P02753 10/20 0.33
NAMPT P43490 2/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL27932368 0.76
SCHEMBL31459318 0.72 CYP8B1 (0.42)
SCHEMBL14289084 0.69
SCHEMBL2806211 0.68 P2RX7 (0.32) LMNAHSP90AA1
SCHEMBL29496182 0.67 MKNK1 (0.43)
SCHEMBL3479676 0.67 DPP4 (0.41) SMN1; SMN2DPP8CHRM4
SCHEMBL8204875 0.67 KDM4E (0.34) HSD17B10
SCHEMBL22390113 0.67 P2RX7 (0.36)
SCHEMBL14931531 0.66 TRPV1 (0.41)
SCHEMBL1497198 0.66 P2RX7 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed