SCHEMBL4574046

SCHEMBL4574046

COc1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)nc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.59
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
SUV39H2 Q9H5I1 3/20 0.49
HDAC1 Q13547 1/20 0.49
GPR119 Q8TDV5 2/20 0.45
SETD7 Q8WTS6 1/20 0.39
CHRM4 P08173 1/20 0.39
GRM1 Q13255 3/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
PIK3CD O00329 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
SCHEMBL8097015 1.00 MAP4K4 (0.59) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL4573301 0.88 MAP4K4 (0.58) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL8117492 0.88 MAP4K4 (0.58) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL16333441 0.87 MAP4K4 (0.57) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL8109939 0.86 MAP4K4 (0.56) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL4573828 0.86 MAP4K4 (0.56) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL4573366 0.81 MAP4K4 (0.60) MAP4K4SUV39H2HDAC1GPR119CHRM4
SCHEMBL8116230 0.81 MAP4K4 (0.60) MAP4K4SUV39H2HDAC1GPR119CHRM4
SCHEMBL4573401 0.81 MAP4K4 (0.52) MAP4K4CTSBCTSSCTSKSUV39H2
SCHEMBL8117739 0.81 MAP4K4 (0.52) MAP4K4CTSBCTSSCTSKSUV39H2

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