SCHEMBL28217030

SCHEMBL28217030

NCC1(c2ccccc2)CCCOO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL22123806 0.72 DPP4 (0.35) DPP4MAOBMAOATAAR1SLC6A2
SCHEMBL28159682 0.71 MAOB (0.50) DPP4MAOBMAOATAAR1GRIN1
SCHEMBL28061487 0.69 HSD11B1 (0.38) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL28158147 0.69 DPP4 (0.42) DPP4MAOBMAOATAAR1SLC6A2
SCHEMBL9000261 0.68 DPP4 (0.36) DPP4MAOBMAOATAAR1
SCHEMBL7833714 0.67 HTR1A (0.52) DPP4MAOBMAOATAAR1GRIN1
SCHEMBL28000583 0.66 DPP4 (0.39) DPP4MAOBMAOATAAR1SLC6A2
SCHEMBL891327 0.66 OPRM1 (0.36) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL27618701 0.66 OPRM1 (0.33) DPP4
SCHEMBL1692475 0.65 OPRM1 (0.46) DPP4MAOBMAOATAAR1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438710-A Preparation method of MDT resin for Molding silica gel 烟台德邦科技有限公司 2019-03-08 CN claimed
CN-108003347-A A kind of preparation method for high-power encapsulation MDT silicones 烟台德邦先进硅材料有限公司 2018-05-08 CN claimed
CN-105669740-B A kind of preparation method of methyl phenyl ring siloxane 山东兆圭高分子材料科技有限公司 2018-12-21 CN disclosed