SCHEMBL7932030

SCHEMBL7932030

CCCCN(CCCC)CCCc1ccc(N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.70
▸ KCNH2 Q12809 6/20 0.51
▸ CHRM2 P08172 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SCN1A P35498 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ SCN3A Q9NY46 1/20 0.50
▸ BCHE P06276 1/20 0.49
▸ ADRA2A P08913 1/20 0.48
▸ CHRM1 P11229 1/20 0.48

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
SCHEMBL10529931 0.91 MAPT (0.64) MAPTKCNH2CHRM2SLC6A3HTR2A
SCHEMBL12156482 0.86 KCNH2 (0.60) MAPTKCNH2CHRM2HTR1ADRD3
SCHEMBL22403770 0.86 KCNH2 (0.66) MAPTKCNH2CHRM2HTR1ADRD3
SCHEMBL30010815 0.85 MAPT (0.61) MAPTKCNH2DRD3HTR2ATHRA
SCHEMBL111607 0.83 GFER (0.62) MAPTCHRM2SLC6A3HTR2ALMNA
SCHEMBL23086272 0.82 HTR2A (0.52) MAPTHTR2ACYP1A2CYP3A4GAA
SCHEMBL18347163 0.82 MAPT (1.00) MAPTKCNH2CHRM2HTR1ADRD3
SCHEMBL10530872 0.82 KCNH2 (0.71) MAPTKCNH2CHRM2HTR1ADRD3
SCHEMBL3123212 0.82 MAPT (0.49) MAPTBCHE
SCHEMBL6475263 0.81 MAPT (0.56) MAPTHTR2ACYP3A4MAOBGFER

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
WO-2010059711-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-27 — — WO disclosed
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