SCHEMBL7897208

SCHEMBL7897208

Nc1ccc(NC(=O)N2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
NAMPT P43490 4/20 0.48
HRH3 Q9Y5N1 3/20 0.47
SHMT2 P34897 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL600104 0.86 CCR2 (0.56) CNR2NAMPTHRH3
SCHEMBL7887420 0.84 HRH3 (0.56) HRH3
SCHEMBL7893397 0.83 L3MBTL3 (0.55) HRH3
SCHEMBL7887253 0.80 CHRNA7 (0.54) HRH3
SCHEMBL7887462 0.78 HRH3 (0.46) HRH3
SCHEMBL7896454 0.78 POLB (0.50) HRH3
SCHEMBL13628510 0.77 HRH3 (0.59) HRH3
SCHEMBL13628044 0.77 HRH3 (0.59) HRH3
SCHEMBL7893524 0.76 HRH3 (0.43) HRH3
SCHEMBL25281317 0.75 RAB9A (0.62)

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-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed