SCHEMBL25816840

SCHEMBL25816840

CCCC(=O)NCCCCN(C)CCCNC(=O)CCC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.63
DNM1 Q05193 2/20 0.57
NAAA Q02083 1/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD3 P35462 1/20 0.44
FAAH O00519 1/20 0.43
USP2 O75604 1/20 0.43
KDM5A P29375 3/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 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
SCHEMBL25816685 0.98 CASP2 (0.66) CASP2DNM1NAAAMEN1KMT2A
SCHEMBL15786516 0.96 CASP2 (0.62) CASP2DNM1NAAAMEN1KMT2A
SCHEMBL9549486 0.93 CASP2 (0.76) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL24782018 0.90 DNM1 (0.69) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL30130593 0.88 DNM1 (0.76) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL30130591 0.88 DNM1 (0.76) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL15786515 0.87 DNM1 (0.69) CASP2DNM1NAAADRD3FAAH
SCHEMBL12792081 0.86 CASP2 (0.65) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL9549308 0.86 DNM1 (0.73) CASP2DNM1NAAAFAAHKDM5A
SCHEMBL31325297 0.86 DNM1 (0.73) CASP2DNM1NAAAFAAHKDM5A

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed