SCHEMBL11904712

SCHEMBL11904712

CC(C)(C)OC(=O)N1CCC(C(=O)N(CC=O)c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
STS P08842 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
DPP4 P27487 1/20 0.42
TACR3 P29371 1/20 0.42
MAPT P10636 1/20 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
GPR119 Q8TDV5 2/20 0.41
CCR5 P51681 2/20 0.41
PDK2 Q15119 1/20 0.40
KCNH2 Q12809 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
SCHEMBL2063007 0.89 EPHX2 (0.47) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL311399 0.87 EPHX2 (0.47) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL3397674 0.81 PTPRB (0.48) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL12497672 0.80 MT-CO2 (0.40) KMT2AMAPT
SCHEMBL3330234 0.78 TACR1 (0.40)
SCHEMBL29189288 0.77 STS (0.54) STSMEN1KMT2APTPN2PTPN1
SCHEMBL30066884 0.77 STS (0.54) STSMEN1KMT2APTPN2PTPN1
SCHEMBL13326726 0.77 CCR5 (0.52) PTPRBPTPN11CCR5KCNH2
SCHEMBL17367288 0.75 STS (0.54) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL10159468 0.75 MEN1 (0.62) STSMEN1KMT2ANPSR1GPR119

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