SCHEMBL13660823

SCHEMBL13660823

C1CCN(CCC2CCN(CC3CCNCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
ADRA2C P18825 1/20 0.50
GNAO1 P09471 4/20 0.49
ACHE P22303 3/20 0.41
CYP1A2 P05177 1/20 0.39
GNAI3 P08754 3/20 0.37
GNAI1 P63096 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR4 Q13639 1/20 0.37
GBA1 P04062 1/20 0.36
RAD52 P43351 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
HRH3 Q9Y5N1 1/20 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
SCHEMBL20215706 0.91 GNAO1 (0.43) CHRM5ADRA2CGNAO1ACHECYP1A2
SCHEMBL42348 0.89 GNAO1 (0.49) CHRM5ADRA2CGNAO1CYP1A2GNAI3
Hydrochloric Acid SCHEMBL4424002 0.88 GNAO1 (0.51) CHRM5ADRA2CGNAO1CYP1A2GNAI3
SCHEMBL640737 0.88 GNAO1 (0.50) CHRM5ADRA2CGNAO1CYP1A2GNAI3
SCHEMBL13660822 0.86 CHRM5 (0.57) CHRM5ADRA2CGNAO1ACHESMN1; SMN2
SCHEMBL13660827 0.86 GNAO1 (0.46) CHRM5ADRA2CGNAO1CYP1A2GNAI3
SCHEMBL27097471 0.86 CHRM5 (0.69) CHRM5ADRA2CACHECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL6150599 0.86 GNAO1 (0.53) CHRM5ADRA2CGNAO1CYP1A2GNAI3
SCHEMBL47050 0.86 CHRM5 (0.67) CHRM5ADRA2CGNAO1ACHESMN1; SMN2
SCHEMBL13661478 0.84 GNAO1 (0.45) CHRM5ADRA2CGNAO1CYP1A2GNAI3

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