SCHEMBL21101837

SCHEMBL21101837

O=CNC1(CO)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
MME P08473 1/20 0.32

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
SCHEMBL18924686 0.90
SCHEMBL2842008 0.76 USP2 (0.30)
SCHEMBL8124456 0.74 USP2 (0.33)
SCHEMBL5263056 0.74
SCHEMBL9162035 0.74 CYP2C19 (0.45) MME
SCHEMBL8630542 0.73 ADH1B (0.31)
SCHEMBL21101836 0.73 DPP4 (0.38) DPP4MME
Hydrochloric Acid SCHEMBL28284492 0.71 CETP (0.35)
SCHEMBL8625731 0.71 CETP (0.33)
SCHEMBL7409138 0.69 GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019110589-A1 PYRROLO[2,3-B]PYRAZINE COMPOUNDS AS CCCDNA INHIBITORS FOR THE TREATMENT OF HEPATITIS B VIRUS (HBV) INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-06-13 WO disclosed