SCHEMBL30516373

SCHEMBL30516373

CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3ccc(Cl)c(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
MAPK8 P45983 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACHE P22303 1/20 0.42
CCNT1 O60563 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TACR1 P25103 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP2C19 P33261 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
SCHEMBL21302002 1.00 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL31066775 1.00 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL21301976 0.92 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL31066776 0.92 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL31066761 0.90 MET (0.51) METMAPK8MAPTALDH1A1LMNA
SCHEMBL22712827 0.90 MET (0.51) METMAPK8MAPTALDH1A1LMNA
SCHEMBL30516389 0.90 MET (0.51) METMAPK8MAPTALDH1A1LMNA
SCHEMBL21301989 0.89 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL30516385 0.89 MET (0.48) METMAPK8MAPTALDH1A1LMNA
SCHEMBL21301973 0.88 MET (0.50) METMAPK8MAPTALDH1A1LMNA

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