SCHEMBL12825342

SCHEMBL12825342

CC(C)(C)OC(=O)N1CCc2c(CCl)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
UCHL1 P09936 3/20 0.36
AOC3 Q16853 1/20 0.36
GPR119 Q8TDV5 8/20 0.36
FAAH O00519 1/20 0.36
CHRNA7 P36544 1/20 0.35
ACHE P22303 2/20 0.35
GRM5 P41594 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL31420933 0.88 UCHL1 (0.38) POLBUCHL1AOC3GPR119CHRNA7
SCHEMBL15553247 0.84 POLB (0.43) POLBUCHL1GPR119CHRNA7GRM5
SCHEMBL29736736 0.84 POLB (0.43) POLBUCHL1GPR119CHRNA7GRM5
SCHEMBL31067862 0.81 UCHL1 (0.40) POLBUCHL1GPR119CHRNA7ACHE
SCHEMBL21855821 0.81 UCHL1 (0.47) POLBUCHL1GPR119CHRNA7GRM5
SCHEMBL21856164 0.81 UCHL1 (0.40) POLBUCHL1GPR119CHRNA7ACHE
SCHEMBL22121634 0.81 UCHL1 (0.38) POLBUCHL1GPR119CHRNA7ACHE
SCHEMBL30746650 0.81 UCHL1 (0.47) POLBUCHL1GPR119CHRNA7GRM5
SCHEMBL2023466 0.78 UCHL1 (0.48) UCHL1GPR119HDAC1HDAC6
SCHEMBL30376147 0.78 UCHL1 (0.48) UCHL1GPR119HDAC1HDAC6

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-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 WO disclosed