SCHEMBL4573360

SCHEMBL4573360

COc1cnc(Br)c(N2CCN(C(=O)O)C(C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.37
PIK3CD O00329 6/20 0.37
GPR183 P32249 1/20 0.37
PI4KB Q9UBF8 1/20 0.36
CHRM4 P08173 3/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SMO Q99835 3/20 0.36
RBP4 P02753 1/20 0.35
PIK3R1 P27986 3/20 0.35
ROCK2 O75116 1/20 0.35
PRKG1 Q13976 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL8116228 0.86 MAP4K4 (0.48) KITPIK3CDGRM1
SCHEMBL4584298 0.86 MAP4K4 (0.48) KITPIK3CDGRM1
SCHEMBL4573206 0.84 PIK3CD (0.38) KITPIK3CDPI4KBCHRM4PIK3R1
SCHEMBL4574023 0.79 PIK3CD (0.43) PIK3CDPIK3R1ROCK2PRKG1GRM1
SCHEMBL4573559 0.77 HRH3 (0.45) PIK3CDCHRM4PIK3R1ROCK2PRKG1
SCHEMBL31111640 0.75 CHRNB2 (0.46) CHRM4GRM1
SCHEMBL4573864 0.75 CHRM4 (0.57) KITCHRM4ROCK2PRKG1
SCHEMBL4573090 0.74 CHRM4 (0.45) PIK3CDCHRM4PIK3R1GRM1
SCHEMBL25187577 0.73 GRM1 (0.45) PIK3CDCHRM4PIK3R1GRM1
SCHEMBL27697487 0.72 CHRM1 (0.43) CHRM4GRM1

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