SCHEMBL22069812

SCHEMBL22069812

CC(C)C1CC(=O)CCN1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.37
OPRM1 P35372 4/20 0.37
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
ACHE P22303 1/20 0.34
OPRL1 P41146 3/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 2/20 0.32
KDM4E B2RXH2 2/20 0.32
OPRD1 P41143 2/20 0.31
RORC P51449 1/20 0.31
HSD11B1 P28845 1/20 0.31
CTSD P07339 1/20 0.31
TRPC5 Q9UL62 1/20 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
SCHEMBL22069798 0.74 PIK3CD (0.33)
SCHEMBL22069773 0.73 MAPK1 (0.39) OPRK1OPRM1OPRL1ALDH1A1LMNA
SCHEMBL22069817 0.73 PIK3CD (0.33) ALDH1A1
SCHEMBL22069823 0.73 PIK3CD (0.36)
SCHEMBL22069769 0.72 PRKCD (0.35) OPRM1
SCHEMBL22069793 0.72 FAAH (0.33)
SCHEMBL3009112 0.68 CHRM5 (0.61) OPRK1OPRM1CHRM5ADRA2CACHE
SCHEMBL16102614 0.68 CHRM5 (0.61) OPRK1OPRM1CHRM5ADRA2CACHE
SCHEMBL6583551 0.68 CHRM5 (0.61) OPRK1OPRM1CHRM5ADRA2CACHE
SCHEMBL24926382 0.68 HRH3 (0.34) CHRM5ADRA2CACHENR1H2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP claimed
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP disclosed