SCHEMBL24404196

SCHEMBL24404196

C#CCN(C(C)=O)C(=O)N(CC#C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.44
CHRM2 P08172 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRM5 P08912 4/20 0.44
CHRM3 P20309 4/20 0.44
PYCR1 P32322 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 3/20 0.31

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
SCHEMBL7200816 0.76 PYCR1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL9215139 0.74
SCHEMBL1245328 0.74
SCHEMBL6256631 0.72
SCHEMBL2026443 0.72
SCHEMBL3652960 0.72
SCHEMBL12073330 0.70
SCHEMBL2757958 0.70 PYCR1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL16671398 0.69
SCHEMBL11033489 0.69

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
EP-3780226-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2022-05-11 EP disclosed