SCHEMBL4589911

SCHEMBL4589911

CC1CN(c2cc[nH]c(=O)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.47
MAP4K4 O95819 1/20 0.46
NR1H2 P55055 13/20 0.46
NR1H3 Q13133 12/20 0.45
GPR119 Q8TDV5 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4589914 1.00 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20157181 0.84 GHSR (0.49) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139336 0.84 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139337 0.84 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL4573983 0.83 HRH3 (0.42) HRH3
SCHEMBL13799383 0.81 HRH3 (0.56) GPR119HRH3
SCHEMBL15819221 0.79 FAAH (0.56) MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139199 0.79 FAAH (0.56) MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139589 0.79 NR1H2 (0.59) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20141060 0.79 NR1H2 (0.55) SUV39H2MAP4K4NR1H2NR1H3

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed