SCHEMBL4573077

SCHEMBL4573077

COc1nc(N2CCN(C(=O)O)C(C)C2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAP4K4 O95819 1/20 0.41
OGA O60502 1/20 0.41
GRM1 Q13255 8/20 0.40
CHRM4 P08173 1/20 0.39
UCHL3 P15374 1/20 0.38
ROCK2 O75116 1/20 0.37
PTGDR Q13258 1/20 0.37
PANK3 Q9H999 2/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 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
SCHEMBL4573301 0.85 MAP4K4 (0.58) CTSBCTSSCTSKMAP4K4OGA
SCHEMBL8117492 0.85 MAP4K4 (0.58) CTSBCTSSCTSKMAP4K4OGA
SCHEMBL4573074 0.84 CTSB (0.45) CTSBCTSSCTSKMAP4K4GRM1
SCHEMBL4574023 0.82 PIK3CD (0.43) CTSBCTSSCTSKMAP4K4GRM1
SCHEMBL4573090 0.80 CHRM4 (0.45) GRM1CHRM4
SCHEMBL4574031 0.80 OGA (0.47) MAP4K4OGAUCHL3ROCK2PTGDR
SCHEMBL4573088 0.78 CHRM4 (0.58) MAP4K4GRM1CHRM4ROCK2
SCHEMBL31469902 0.78 GRM1 (0.51) MAP4K4GRM1CHRM4
SCHEMBL4573182 0.76 PIK3CD (0.41) CTSBCTSSCTSKMAP4K4GRM1
SCHEMBL4573147 0.75 GRM1 (0.39) CTSBCTSSCTSKGRM1ROCK2

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