SCHEMBL29317964

SCHEMBL29317964

CC(CCNC(=O)OCCCCC(C)(C)OCCOC(=O)NCCC(C)N1CC1)N1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNB4 P30926 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33

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
SCHEMBL12254883 0.76 ACHE (0.37) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL12254885 0.72 ACHE (0.36) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL12254894 0.70 ACHE (0.37) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12254902 0.70 HRH3 (0.35) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL12254905 0.70 HRH3 (0.35) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL12254891 0.70 HRH3 (0.35) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL26192228 0.68 ACHE (0.59) ACHE
SCHEMBL16313389 0.68 HRH3 (0.34) ACHEHRH3HRH4CHRNB2CHRNB4
SCHEMBL29318061 0.68 — —
SCHEMBL24121228 0.68 USP2 (0.34) 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
EP-3352290-B1 AZIRIDINO-FUNCTIONAL POLYETHER THERMALLY-CONDUCTIVE GAP FILLER 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-07-17 — — EP disclosed
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