SCHEMBL30516385

SCHEMBL30516385

CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3cc(Cl)cc(Cl)c3)c2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ENPP2 Q13822 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.43
ACHE P22303 1/20 0.43
STS P08842 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNT1 O60563 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL21301989 1.00 MET (0.48) METLMNAALDH1A1MAPTENPP2
SCHEMBL22712827 0.94 MET (0.51) METLMNAALDH1A1MAPTENPP2
SCHEMBL30516389 0.94 MET (0.51) METLMNAALDH1A1MAPTENPP2
SCHEMBL31066761 0.94 MET (0.51) METLMNAALDH1A1MAPTENPP2
SCHEMBL30516373 0.89 MET (0.48) METLMNAALDH1A1MAPTHTT
SCHEMBL21302002 0.89 MET (0.48) METLMNAALDH1A1MAPTHTT
SCHEMBL31066775 0.89 MET (0.48) METLMNAALDH1A1MAPTHTT
SCHEMBL21301976 0.89 MET (0.48) METLMNAALDH1A1MAPTENPP2
SCHEMBL31066776 0.89 MET (0.48) METLMNAALDH1A1MAPTENPP2
SCHEMBL3853031 0.89 ACHE (0.55) METLMNAALDH1A1MAPTHTT

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-112041300-B Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists 阿达梅德制药公司 2023-07-28 CN disclosed