SCHEMBL4573090

SCHEMBL4573090

COc1nc(N2CCN(C(=O)O)C(C)C2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.45
PIK3CD O00329 9/20 0.40
HCRTR2 O43614 3/20 0.40
PIK3R1 P27986 1/20 0.40
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL4584304 0.86 GPR119 (0.52) CHRM4PIK3CDHCRTR2
SCHEMBL4584302 0.86 GPR119 (0.52) CHRM4PIK3CDHCRTR2
SCHEMBL4572967 0.84 CHRM4 (0.46) CHRM4PIK3CDHCRTR2PIK3R1CHRM1
SCHEMBL4573077 0.80 CTSB (0.44) CHRM4GRM1
SCHEMBL18145739 0.80 CHRM1 (0.53) CHRM4PIK3CDPIK3R1CHRM5CHRM1
SCHEMBL4574023 0.79 PIK3CD (0.43) PIK3CDPIK3R1GRM1
SCHEMBL4573147 0.77 GRM1 (0.39) PIK3CDGRM1
SCHEMBL21551483 0.76 GRM1 (0.48) CHRM4PIK3CDPIK3R1CHRM5CHRM1
SCHEMBL15141793 0.76 PDCD1 (0.43)
SCHEMBL15515685 0.75 AOC3 (0.41)

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