SCHEMBL26093100

SCHEMBL26093100

CCN(CC)c1ccc(/C=C/c2cc[n+](CC[n+]3ccc(/C=C/c4ccc(N(CC)CC)cc4)c(C)c3)cc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.52
▸ CHRM4 P08173 2/20 0.52
▸ CHRM5 P08912 2/20 0.52
▸ CHRM1 P11229 2/20 0.52
▸ CHRM3 P20309 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ CHAT P28329 1/20 0.42
▸ KDM4A O75164 2/20 0.42
▸ KDM2A Q9Y2K7 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ INSR P06213 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 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
Bromide SCHEMBL30379384 0.99 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17366442 0.95 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26090139 0.95 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26092007 0.93 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL30379184 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26093456 0.93 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL30379896 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26091229 0.93 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12533267 0.93 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26092898 0.93 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067170-A1 COMPOUNDS FOR THE TREATMENT OF MALARIA FUNDACIÓ INSTITUT DE BIOENGINYERIA DE CATALUNYA (ES) 2023-04-27 — — WO claimed
WO-2023067170-A1 COMPOUNDS FOR THE TREATMENT OF MALARIA FUNDACIÓ INSTITUT DE BIOENGINYERIA DE CATALUNYA (ES) 2023-04-27 — — WO disclosed
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