SCHEMBL9765845

SCHEMBL9765845

CN(C)C(=O)C(C(=O)N(C)C)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.37
ACHE P22303 1/20 0.36
DPP7 Q9UHL4 1/20 0.34
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL17010751 0.80 MAOB (0.41) FDPSACHEGAAALDH1A1NPC1
SCHEMBL27992779 0.75 SLC6A3 (0.42)
SCHEMBL3969170 0.70 DPP7 (0.48) FDPSDPP7GAAALDH1A1MEN1
SCHEMBL10509650 0.69 DPP7 (0.42) FDPSDPP7GAAALDH1A1NPC1
Ammonia Solution, Strong SCHEMBL10713045 0.69 DPP7 (0.47) FDPSDPP7GAAALDH1A1MEN1
SCHEMBL11173567 0.67 DPP7 (0.45) FDPSDPP7GAAALDH1A1MEN1
SCHEMBL17010748 0.67 ALDH1A1 (0.43) ACHEDPP7ALDH1A1CHRM2CHRM4
SCHEMBL20589054 0.65 ALDH1A1 (0.43) ALDH1A1NPC1MEN1LMNAKMT2A
SCHEMBL6737298 0.65 ALDH1A1 (0.43) ALDH1A1NPC1MEN1LMNAKMT2A
SCHEMBL4420651 0.65 DPP7 (0.36) FDPSDPP7GAAALDH1A1NPC1

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
EP-0452392-A1 HETEROCYCLIC CHELATING AGENTS. NYCOMED AS (NO) 1991-10-23 EP disclosed