SCHEMBL29216441

SCHEMBL29216441

CCCCCCCCCCCCCCNCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
EPHX1 P07099 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 7/20 0.41

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
SCHEMBL30625882 0.99 MAOA (0.54) MAOAMAOBTDP1CA12CA1
SCHEMBL23085369 0.92 MAOA (0.63) MAOAMAOBTDP1CA12CA1
SCHEMBL23085275 0.91 MAOA (0.60) MAOAMAOBTDP1CA12CA1
SCHEMBL31021593 0.89 TDP1 (0.54) MAOAMAOBTDP1CA12CA1
SCHEMBL26840517 0.89 TDP1 (0.67) MAOAMAOBTDP1CA12CA1
SCHEMBL28051430 0.89 TDP1 (0.67) MAOAMAOBTDP1CA12CA1
SCHEMBL26840523 0.89 TDP1 (0.67) MAOAMAOBTDP1CA12CA1
SCHEMBL13592519 0.89 TDP1 (0.67) MAOAMAOBTDP1CA12CA1
SCHEMBL14103937 0.89 TDP1 (0.67) MAOAMAOBTDP1CA12CA1
SCHEMBL16569093 0.88 TDP1 (0.53) MAOAMAOBTDP1CA12CA1

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
CN-117794946-A Long acting dual GIP/GLP-1 peptide conjugates and methods of use 斯克利普斯研究所 2024-03-29 CN disclosed