SCHEMBL4573445

SCHEMBL4573445

COc1ccnc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
GPR119 Q8TDV5 3/20 0.49
HDAC1 Q13547 1/20 0.49
SUV39H2 Q9H5I1 2/20 0.45
ROCK2 O75116 3/20 0.45
PRKG1 Q13976 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GRM1 Q13255 5/20 0.44
USP30 Q70CQ3 1/20 0.43
FAAH O00519 2/20 0.42
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL31658417 0.89 MAP4K4 (0.52) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL30124551 0.86 MAP4K4 (0.55) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL23867194 0.86 MAP4K4 (0.55) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL30144181 0.86 MAP4K4 (0.55) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL23867113 0.86 MAP4K4 (0.55) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL23867109 0.86 MAP4K4 (0.55) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL4573061 0.85 ROCK2 (0.48) ROCK2PRKG1HRH3GRM1FAAH
SCHEMBL23867186 0.84 MAP4K4 (0.56) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL23860098 0.84 MAP4K4 (0.53) MAP4K4GPR119HDAC1SUV39H2GRM1
SCHEMBL29182788 0.84 MAP4K4 (0.53) MAP4K4GPR119HDAC1SUV39H2GRM1

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