SCHEMBL27649366

SCHEMBL27649366

N=C(N)NC(C(=O)O)C1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MTNR1B P49286 2/20 0.37
MTNR1A P48039 1/20 0.37
NPY1R P25929 2/20 0.36

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
SCHEMBL28750554 0.86 TSHR (0.43) ECE1ALDH1A1
SCHEMBL27583416 0.83 ALDH1A1 (0.39) ECE1ALDH1A1MTNR1BMTNR1A
SCHEMBL14453237 0.80 HTT (0.40) ECE1ALDH1A1HTTMTNR1BMTNR1A
SCHEMBL14453238 0.77 IDO1 (0.43)
SCHEMBL31757931 0.77 IDO1 (0.43)
SCHEMBL31757939 0.77 IDO1 (0.43)
SCHEMBL30481743 0.75 IDO1 (0.42) ECE1TRPM8CA1CA2HTT
SCHEMBL31609333 0.75 IDO1 (0.42) ECE1TRPM8CA1CA2HTT
SCHEMBL255287 0.75 IDO1 (0.42) ECE1TRPM8CA1CA2HTT
SCHEMBL5965470 0.75 IDO1 (0.42) ECE1TRPM8CA1CA2HTT

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
CN-1798559-B Quinoline-2-one-derivatives for the treatment of airways diseases NOVARTIS AG 2010-05-12 CN disclosed
CN-1798559-A Quinoline-2-one-derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2006-07-05 CN disclosed