SCHEMBL4427557

SCHEMBL4427557

CCCCC1CC(N2CCCCC2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.37
DPP4 P27487 1/20 0.36
CYP1A2 P05177 1/20 0.35
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23759619 0.76 DPP4 (0.30) DPP4
Hydrochloric Acid SCHEMBL2201328 0.73 HTR6 (0.35) DPP4HTR6
Hydrochloric Acid SCHEMBL2201339 0.73 HTR6 (0.35) DPP4HTR6
Hydrochloric Acid SCHEMBL2201332 0.73 HTR6 (0.35) DPP4HTR6
SCHEMBL23139629 0.72 HTR6 (0.39) DPP4HTR6
SCHEMBL24700269 0.72 HTR6 (0.39) DPP4HTR6
SCHEMBL5514610 0.72 HTR6 (0.39) DPP4HTR6
SCHEMBL8937750 0.72 MEN1 (0.35) DPP4HTR6ALDH1A1
Hydrochloric Acid SCHEMBL23123377 0.71 HTR6 (0.38) HTR6
Hydrochloric Acid SCHEMBL23123421 0.71 HTR6 (0.38) HTR6

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