SCHEMBL28078708

SCHEMBL28078708

CC(C)(C)C(=O)ON1CC(Oc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.41
SCN9A Q15858 1/20 0.35
RBP4 P02753 2/20 0.34
POLB P06746 2/20 0.33
ELANE P08246 1/20 0.33
CACNA1I Q9P0X4 4/20 0.33
KCNH2 Q12809 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
GMNN O75496 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MTOR P42345 1/20 0.33
HTR3A P46098 1/20 0.33
PMP22 Q01453 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28078905 0.87 ACLY (0.39) CHRM3POLBCACNA1IKCNH2HTR3E
SCHEMBL28078880 0.87 POLB (0.42) CHRM3SCN9APOLBCACNA1IKCNH2
SCHEMBL28078956 0.87 POLB (0.42) CHRM3SCN9APOLBCACNA1IKCNH2
SCHEMBL27989232 0.77 LIPG (0.47) SCN9AACACB
SCHEMBL16759632 0.77 STS (0.47) CHRM3CACNA1ISTS
SCHEMBL28751511 0.75 EPHX2 (0.49) SCN9APOLB
SCHEMBL17061729 0.74 POLB (0.39) CHRM3SCN9APOLB
SCHEMBL19075550 0.73 CHRM3 (0.44) CHRM3SCN9ARBP4POLB
SCHEMBL27638895 0.73 EPHX2 (0.46) ELANEACACB
SCHEMBL28009611 0.73 ALDH1A1 (0.41) POLBCYP1A2GAA

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