SCHEMBL13660822

SCHEMBL13660822

C1CCN(CCN2CCN(CC3CCNCC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.57
ADRA2C P18825 1/20 0.57
ACHE P22303 1/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
GBA1 P04062 2/20 0.40
RAD52 P43351 1/20 0.40
GNAO1 P09471 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR4 P61073 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36

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
SCHEMBL47050 0.92 CHRM5 (0.67) CHRM5ADRA2CACHECACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL4382180 0.90 CHRM5 (0.64) CHRM5ADRA2CACHECACNA2D1CACNA1B
SCHEMBL528918 0.90 CHRM5 (0.62) CHRM5ADRA2CACHECACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL3551950 0.88 CHRM5 (0.60) CHRM5ADRA2CACHECACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL28737630 0.88 CHRM5 (0.60) CHRM5ADRA2CACHECACNA2D1CACNA1B
SCHEMBL13660823 0.86 CHRM5 (0.50) CHRM5ADRA2CACHECACNA2D1CACNA1B
SCHEMBL3062251 0.86 CHRM5 (0.56) CHRM5ADRA2CACHECACNA2D1CACNA1B
SCHEMBL14422030 0.85 GBA1 (0.48) CHRM5ADRA2CACHECACNA2D1CACNA1B
SCHEMBL13660827 0.85 GNAO1 (0.46) CHRM5ADRA2CRAD52GNAO1HRH3
SCHEMBL22297169 0.84 GNAO1 (0.46) CHRM5ADRA2CACHECACNA2D1CACNA1B

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed