SCHEMBL25822794

SCHEMBL25822794

CNC(CCCCNC(=O)OCCN=[N+]=[N-])C(C)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.37
▸ CHRNB2 P17787 3/20 0.34
▸ CHRNB4 P30926 3/20 0.34
▸ CHRNA3 P32297 3/20 0.34
▸ CHRNA4 P43681 3/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL20113001 0.82 ACHE (0.41) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22343075 0.81 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22570793 0.81 ACHE (0.37) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18137885 0.81 ACHE (0.40) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22342677 0.79 ACHE (0.41) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18083165 0.78 DPP7 (0.36) ACHE
SCHEMBL22314737 0.76 ACHE (0.35) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19513091 0.76 ACHE (0.58) ACHE
SCHEMBL23579337 0.76 DDAH1 (0.43) ACHE
SCHEMBL15546760 0.76 DDAH1 (0.43) ACHE

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-2023122750-A1 CANCER COMBINATION THERAPY WITH IL-2 CONJUGATES AND CETUXIMAB Synthorx, Inc. (US) 2023-06-29 — — WO disclosed
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