Hexamethonium

Hexamethonium

SCHEMBL7212262

CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC.C[N+](C)(C)CCCCCC[N+](C)(C)C

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
ACHE P22303 1/20 0.49
KCNH2 Q12809 1/20 0.49
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 3/20 0.47
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
BIRC5 O15392 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.38
LTA4H P09960 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2138 0.86 KDM4E (0.58) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL418082 0.82 KDM4E (0.54) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL3265285 0.77 CHRM2 (0.59) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL9706154 0.74 DRD3 (0.67) CHRM2LMNATSHRCHRM1KCNH2
SCHEMBL9596044 0.73 LMNA (0.54) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL13963708 0.71 ALDH1A1 (0.71) CHRM2LMNATSHRACHEALDH1A1
SCHEMBL14365443 0.70 KDM4E (0.46) LMNAACHEALDH1A1KDM4EHTR1B
SCHEMBL11209770 0.69 ALDH1A1 (0.65) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL453505 0.69 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL456438 0.69 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15

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
EP-1272170-A1 OCULAR GROWTH AND NICOTINIC ANTAGONISTS Valley Forge Pharmaceuticals, Inc. (US) 2003-01-08 EP disclosed
WO-2001052832-A1 OCULAR GROWTH AND NICOTINIC ANTAGONISTS VALLEY FORGE PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed