SCHEMBL28078956

SCHEMBL28078956

CC(C)(C)C(=O)ON1CCC[C@@H](Oc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CHRM3 P20309 1/20 0.35
SCN9A Q15858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CACNA1I Q9P0X4 4/20 0.34
KCNH2 Q12809 3/20 0.34
STS P08842 1/20 0.33
CHEK2 O96017 1/20 0.33
CACNA1H O95180 1/20 0.32
CYP2D6 P10635 1/20 0.32
NOTUM Q6P988 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL28078880 1.00 POLB (0.42) POLBCHRM3SCN9AL3MBTL1CACNA1I
SCHEMBL17061729 0.88 POLB (0.39) POLBCHRM3SCN9AL3MBTL1NOTUM
SCHEMBL28078708 0.87 CHRM3 (0.41) POLBCHRM3SCN9ACACNA1IKCNH2
SCHEMBL28078905 0.86 ACLY (0.39) POLBCHRM3CACNA1IKCNH2STS
SCHEMBL28277464 0.81 KMT2A (0.38) CHEK2
SCHEMBL17061848 0.78 CHEK2 (0.51) POLBSTSCHEK2
SCHEMBL16770949 0.78 CHEK2 (0.51) POLBSTSCHEK2
SCHEMBL16771007 0.78 CHEK2 (0.51) POLBSTSCHEK2
SCHEMBL27874081 0.76 CHRM3 (0.49) CHRM3
SCHEMBL27721841 0.76 CHRM3 (0.49) CHRM3

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
CN-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 CN disclosed