SCHEMBL4573559

SCHEMBL4573559

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
CXCR3 P49682 1/20 0.44
GRM1 Q13255 5/20 0.42
CHRM4 P08173 2/20 0.42
PIK3CG P48736 1/20 0.42
PIK3CD O00329 6/20 0.40
ROCK2 O75116 1/20 0.39
PRKG1 Q13976 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PIK3R1 P27986 1/20 0.37
JAK3 P52333 1/20 0.37

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 0.85 MAP4K4 (0.52) HRH3CXCR3GRM1CHRM4PIK3CG
SCHEMBL4584408 0.85 MAP4K4 (0.52) HRH3CXCR3GRM1CHRM4PIK3CG
SCHEMBL4573088 0.82 CHRM4 (0.58) HRH3GRM1CHRM4ROCK2PRKG1
SCHEMBL26089447 0.81 HCAR2 (0.39) HRH3CXCR3CHRM4PIK3CGFFAR4
SCHEMBL26088683 0.81 HCAR2 (0.39) HRH3CXCR3CHRM4PIK3CGFFAR4
SCHEMBL4574771 0.80 HRH3 (0.39) HRH3CXCR3GRM1CHRM4PIK3CG
SCHEMBL4573360 0.77 KIT (0.37) GRM1CHRM4PIK3CDROCK2PRKG1
SCHEMBL4574023 0.77 PIK3CD (0.43) GRM1PIK3CGPIK3CDROCK2PRKG1
SCHEMBL4573206 0.75 PIK3CD (0.38) GRM1CHRM4PIK3CDPIK3R1
SCHEMBL4573182 0.75 PIK3CD (0.41) GRM1CHRM4PIK3CGPIK3CDPIK3R1

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