SCHEMBL2666136

SCHEMBL2666136

CC1CCC(N(C=O)C2CCC(C(C)C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.48
ADH1C P00326 4/20 0.48
ADH4 P08319 1/20 0.48
ADH1B P00325 1/20 0.33
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL27807577 0.77 TRPA1 (0.35) TRPA1TRPM8EPHX1
Formic Acid SCHEMBL28687832 0.77 TRPA1 (0.40) TRPA1TRPM8EPHX1
Formamide SCHEMBL29160592 0.77 EPHX1 (0.38) TRPA1TRPM8EPHX1
SCHEMBL452781 0.76 TRPA1 (0.39) TRPA1TRPM8EPHX1
SCHEMBL1760669 0.76 TRPA1 (0.39) TRPA1TRPM8EPHX1
SCHEMBL7979 0.76 TRPA1 (0.39) TRPA1TRPM8EPHX1
SCHEMBL29136143 0.74 EPHX1 (0.36) TRPA1TRPM8EPHX1
Water SCHEMBL2851760 0.73 TRPA1 (0.37) TRPA1TRPM8EPHX1
Hydrochloric Acid SCHEMBL6863594 0.73 TRPA1 (0.37) TRPA1TRPM8EPHX1
Charcoal, Activated SCHEMBL4530459 0.73 TRPA1 (0.37) TRPA1TRPM8EPHX1

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-2005066145-A1 HETEROARYL-UREAS AND THEIR USE AS GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-07-21 WO disclosed