SCHEMBL13660827

SCHEMBL13660827

C1CCN(CCN2CCN(CCC3CCNCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 4/20 0.46
CYP1A2 P05177 1/20 0.43
RAD52 P43351 1/20 0.40
GNAI3 P08754 3/20 0.38
GNAI1 P63096 3/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
CXCR4 P61073 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPY1R P25929 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13661478 0.98 GNAO1 (0.45) GNAO1CYP1A2RAD52GNAI3GNAI1
SCHEMBL42348 0.96 GNAO1 (0.49) GNAO1CYP1A2RAD52GNAI3GNAI1
Hydrochloric Acid SCHEMBL4424002 0.94 GNAO1 (0.51) GNAO1CYP1A2RAD52GNAI3GNAI1
SCHEMBL640737 0.94 GNAO1 (0.50) GNAO1CYP1A2RAD52GNAI3GNAI1
Hydrochloric Acid SCHEMBL6150599 0.92 GNAO1 (0.53) GNAO1CYP1A2RAD52GNAI3GNAI1
SCHEMBL3440711 0.90 GNAO1 (0.50) GNAO1CYP1A2RAD52GNAI3GNAI1
SCHEMBL13660823 0.86 CHRM5 (0.50) GNAO1CYP1A2RAD52GNAI3GNAI1
SCHEMBL7122133 0.85 GNAO1 (0.54) GNAO1RAD52GNAI3GNAI1CXCR4
SCHEMBL13660822 0.85 CHRM5 (0.57) GNAO1RAD52CHRM5ADRA2CCXCR4
SCHEMBL7462427 0.85 CYP1A2 (0.43) GNAO1CYP1A2RAD52GNAI3GNAI1

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