SCHEMBL28536867

SCHEMBL28536867

NC1(c2ccccc2)CCCCN1C(=O)N1CCCCC1(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 3/20 0.46
AKR1C1 Q04828 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP2B6 P20813 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PRCP P42785 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3393922 0.90 MEN1 (0.47) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL3433975 0.89 MEN1 (0.46) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL3391147 0.85 HSD11B1 (0.44) MEN1KMT2AHSD11B1AKR1C1OPRM1
SCHEMBL3787663 0.79 SMN1; SMN2 (0.45) MEN1KMT2AMAPK1GAAOPRD1
SCHEMBL22325834 0.77 HSD11B1 (0.42) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL21683027 0.76 HSD11B1 (0.41) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL28139616 0.75 TSHR (0.43) GRIN2DGRIN3BGRIN1KCNH2GRIN2A
SCHEMBL5820445 0.74 POLB (0.40) MEN1KMT2AMAPK1OPRM1SMN1; SMN2
SCHEMBL11661570 0.73 MEN1 (0.47) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL6098877 0.71 MEN1 (0.41) MEN1KMT2AMAPK1GAAOPRM1

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-112336874-A Nano-drug carrier and preparation method and application thereof 昆山新蕴达生物科技有限公司 2021-02-09 CN disclosed