SCHEMBL4584408

SCHEMBL4584408

COc1cncc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
HDAC1 Q13547 1/20 0.48
SUV39H2 Q9H5I1 2/20 0.46
GPR119 Q8TDV5 3/20 0.46
HRH3 Q9Y5N1 2/20 0.44
CXCR3 P49682 1/20 0.42
PIK3CD O00329 2/20 0.41
CHRM4 P08173 1/20 0.40
GRM1 Q13255 2/20 0.39
PIK3CG P48736 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38

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
SCHEMBL8113244 1.00 MAP4K4 (0.52) MAP4K4HDAC1SUV39H2GPR119HRH3
SCHEMBL38666762 0.85 MAP4K4 (0.53) MAP4K4HDAC1SUV39H2GPR119PIK3CD
SCHEMBL38665917 0.85 MAP4K4 (0.53) MAP4K4HDAC1SUV39H2GPR119PIK3CD
SCHEMBL4573559 0.85 HRH3 (0.45) HRH3CXCR3PIK3CDCHRM4GRM1
SCHEMBL8116230 0.84 MAP4K4 (0.60) MAP4K4HDAC1SUV39H2GPR119HRH3
SCHEMBL4573366 0.84 MAP4K4 (0.60) MAP4K4HDAC1SUV39H2GPR119HRH3
SCHEMBL4431585 0.81 HRH3 (0.56) MAP4K4SUV39H2GPR119HRH3CKS1B
SCHEMBL28274242 0.81 GPR119 (0.60) MAP4K4HDAC1GPR119GRM1
SCHEMBL28274241 0.81 GPR119 (0.60) MAP4K4HDAC1GPR119GRM1
SCHEMBL26669805 0.80 MAP4K4 (0.57) MAP4K4HDAC1SUV39H2GPR119PIK3CD

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