SCHEMBL8117495

SCHEMBL8117495

COc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
MAP4K4 O95819 1/20 0.50
SUV39H2 Q9H5I1 4/20 0.48
GPR119 Q8TDV5 3/20 0.46
RET P07949 1/20 0.39
GRM1 Q13255 2/20 0.39
NR1H2 P55055 2/20 0.38
SETD7 Q8WTS6 1/20 0.38
PIK3CD O00329 1/20 0.38
UCHL1 P09936 2/20 0.38
USP30 Q70CQ3 1/20 0.37
NR1H3 Q13133 1/20 0.36
NTRK1 P04629 1/20 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
SCHEMBL4573910 1.00 HDAC1 (0.50) HDAC1MAP4K4SUV39H2GPR119RET
SCHEMBL16334066 0.87 HDAC1 (0.49) HDAC1MAP4K4SUV39H2GPR119GRM1
SCHEMBL4573147 0.86 GRM1 (0.39) HDAC1SUV39H2GRM1PIK3CD
SCHEMBL8107805 0.86 HDAC1 (0.49) HDAC1MAP4K4SUV39H2GPR119RET
SCHEMBL17310207 0.82 RET (0.53) MAP4K4SUV39H2GPR119RET
SCHEMBL31105042 0.81 MAP4K4 (0.54) HDAC1MAP4K4SUV39H2GPR119GRM1
SCHEMBL21460229 0.81 MAP4K4 (0.54) HDAC1MAP4K4SUV39H2GPR119GRM1
SCHEMBL21460227 0.81 MAP4K4 (0.54) HDAC1MAP4K4SUV39H2GPR119GRM1
SCHEMBL29498327 0.81 MAP4K4 (0.54) HDAC1MAP4K4SUV39H2GPR119GRM1
SCHEMBL30427123 0.81 MAP4K4 (0.54) HDAC1MAP4K4SUV39H2GPR119GRM1

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