SCHEMBL13660819

SCHEMBL13660819

O=C(OCc1ccccc1)N1CCCC1CN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
KCNH2 Q12809 2/20 0.54
PREP P48147 3/20 0.52
OPRK1 P41145 1/20 0.51
MET P08581 1/20 0.51
ACE2 Q9BYF1 2/20 0.50

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
SCHEMBL31258485 0.88 MEN1 (0.55) HRH3PREPOPRK1
SCHEMBL7561453 0.85 SPHK2 (0.53) PREPACE2
SCHEMBL5267939 0.84 SPHK2 (0.58) PREPACE2
SCHEMBL4602602 0.84 SPHK2 (0.58) PREPACE2
SCHEMBL809494 0.84 SPHK2 (0.58) PREPACE2
SCHEMBL9202571 0.83 ACE2 (0.56) PREPACE2
SCHEMBL809403 0.83 ACE2 (0.56) PREPACE2
SCHEMBL7318776 0.83 PREP (0.55) PREPACE2
SCHEMBL1122261 0.83 PREP (0.55) PREPACE2
SCHEMBL10903579 0.83 CTRB1 (0.57) PREPACE2

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