SCHEMBL3265285

SCHEMBL3265285

CCN(CC)CCOc1cccc(OCC[N+](CC)(CC)CCCN)c1OCCN(CC)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.59
CHRM1 P11229 1/20 0.59
ALOX15 P16050 1/20 0.59
ACHE P22303 1/20 0.59
KCNH2 Q12809 1/20 0.59
HIF1A Q16665 1/20 0.59
KDM4E B2RXH2 3/20 0.41
HTR1B P28222 3/20 0.41
HTR1D P28221 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BIRC5 O15392 1/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35

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 0.80 KDM4E (0.58) CHRM2LMNATSHRCHRM1ALOX15
Gallamine SCHEMBL12638600 0.77 CHRM2 (1.00) CHRM2LMNATSHRCHRM1ALOX15
Hexamethonium SCHEMBL7212262 0.77 CHRM2 (0.49) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL418082 0.75 KDM4E (0.54) CHRM2LMNATSHRCHRM1ALOX15
Gallamine SCHEMBL249090 0.75 CHRM2 (1.00) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL19300483 0.72 CHRM2 (0.90) CHRM2LMNATSHRCHRM1ALOX15
Gallamine SCHEMBL1736255 0.71 CHRM2 (0.87) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL9706154 0.68 DRD3 (0.67) CHRM2LMNATSHRCHRM1KCNH2
SCHEMBL9596044 0.68 LMNA (0.54) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL16884476 0.67 CHRM2 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100064576-A1 OLIGO- OR POLYAMINES AS OXIDATION STABILIZERS FOR BIOFUEL OILS BASF SE (DE) 2010-03-18 US disclosed