SCHEMBL28320696

SCHEMBL28320696

CCC(=O)ONC1(c2ccccc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
HDAC4 P56524 2/20 0.42
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40

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
SCHEMBL28320702 0.79 SSTR4 (0.43) SSTR4HDAC4OPRM1OPRK1HDAC3
SCHEMBL28389473 0.77 GRIN2D (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL14263840 0.77 SSTR4 (0.52) SSTR4HDAC4OPRM1HDAC3HDAC1
Eticyclidine SCHEMBL7258514 0.75 GRIN2D (0.51) SSTR4HDAC4OPRM1HDAC3HDAC1
SCHEMBL23343877 0.75 POLB (0.50) SSTR4OPRM1HDAC3HDAC1HDAC2
SCHEMBL22790441 0.74 OPRM1 (0.60) HDAC4OPRM1OPRD1OPRK1POLB
Eticyclidine SCHEMBL8452334 0.73 GRIN2D (0.49) SSTR4HDAC4OPRM1HDAC3HDAC1
SCHEMBL28320701 0.72 GRIN2D (0.52) SSTR4HDAC4HDAC3HDAC1HDAC2
SCHEMBL11692509 0.71 POLB (0.60) SSTR4HDAC4HDAC3HDAC1HDAC2
SCHEMBL6620132 0.71 SSTR4 (0.59) SSTR4HDAC4HDAC3HDAC1HDAC2

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-110172058-A 7- azaspiro [5.6] dodecane -10- ketone compounds and preparation method thereof and purposes 中国医科大学 2019-08-27 CN disclosed