SCHEMBL17992194

SCHEMBL17992194

CC(C)OC(=O)N1CC2COCC(C1)C2C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HDAC2 Q92769 1/20 0.36
HSD11B1 P28845 1/20 0.33
P2RX4 Q99571 1/20 0.32
NR1H2 P55055 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
PDE4B Q07343 2/20 0.32
FAAH O00519 1/20 0.32
TSHR P16473 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
SCHEMBL288006 0.86 GPR119 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14791637 0.86 GPR119 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL288005 0.86 GPR119 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10214995 0.86 GPR119 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11993158 0.84 GPR119 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14706990 0.82 GPR119 (0.39) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13175831 0.82 PDE4B (0.39) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13163063 0.81 CHRNB2 (0.41) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14709891 0.79 CHRNB2 (0.43) GPR119CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10139547 0.79 CHRNB2 (0.50) GPR119CHRNB2CHRNA4CHRNB4CHRNA3

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
US-9409918-B2 Bridged bicyclic piperidine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed