SCHEMBL16986830

SCHEMBL16986830

CCNC(=O)OC1CCN(Cc2ccc(-c3nc4c(cnc5cc(C)nn54)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.51
AKT2 P31751 7/20 0.51
CHRM4 P08173 4/20 0.42
CHRM3 P20309 5/20 0.42
BCHE P06276 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL16986864 0.94 AKT1 (0.47) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986903 0.94 AKT1 (0.46) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986851 0.94 AKT1 (0.46) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986835 0.93 AKT1 (0.47) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986876 0.92 AKT1 (0.48) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986824 0.92 BCHE (0.52) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986916 0.92 AKT1 (0.45) AKT1AKT2CHRM4BCHECHRM2
SCHEMBL16986850 0.92 AKT1 (0.45) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986838 0.92 AKT1 (0.45) AKT1AKT2CHRM4CHRM3BCHE
SCHEMBL16986875 0.92 AKT1 (0.45) AKT1AKT2CHRM4BCHECHRM2

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed