SCHEMBL16986915

SCHEMBL16986915

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.43
AKT2 P31751 10/20 0.43
BCHE P06276 2/20 0.40
CHRM4 P08173 4/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.37
CCR3 P51677 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
SCHEMBL16986900 0.93 AKT1 (0.46) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL234599 0.91 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL16986884 0.90 AKT1 (0.45) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986914 0.90 AKT1 (0.48) AKT1AKT2CHRM4CHRM2
SCHEMBL16986916 0.89 AKT1 (0.45) AKT1AKT2BCHECHRM4CHRM2
SCHEMBL16986835 0.89 AKT1 (0.47) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986843 0.89 AKT1 (0.45) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986876 0.88 AKT1 (0.48) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986824 0.88 BCHE (0.52) AKT1AKT2BCHECHRM4CHRM3
SCHEMBL16986886 0.88 CHRM3 (0.45) AKT1AKT2BCHECHRM4CHRM3

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