SCHEMBL11904468

SCHEMBL11904468

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2C[C@@H]2CCCN2Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.41
AKT1 P31749 7/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TP53 P04637 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
THRB P10828 1/20 0.39
PRMT5 O14744 1/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F11 P03951 2/20 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
SCHEMBL11904825 1.00 RPS6KB1 (0.41) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL11904822 1.00 RPS6KB1 (0.41) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2063427 0.90 RPS6KB1 (0.45) RPS6KB1AKT1
SCHEMBL2063426 0.90 RPS6KB1 (0.45) RPS6KB1AKT1
SCHEMBL11904654 0.90 RPS6KB1 (0.45) RPS6KB1AKT1
SCHEMBL11904318 0.89 GPR119 (0.43) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL11904015 0.89 GPR119 (0.43) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL2063679 0.82 RPS6KB1 (0.51) RPS6KB1AKT1MAPTCNR1NPSR1
SCHEMBL11904393 0.82 GPR119 (0.45) RPS6KB1AKT1GPR119PRMT5GRM5
SCHEMBL2063124 0.82 RPS6KB1 (0.55) RPS6KB1AKT1MAPTCNR1NPSR1

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-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 EP disclosed