SCHEMBL5229218

SCHEMBL5229218

CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2/C1=C\C1CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.32
STS P08842 1/20 0.32
KDM1A O60341 1/20 0.32
GPR119 Q8TDV5 10/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PREP P48147 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MYT1 Q01538 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5229227 1.00 HDAC4 (0.32) HDAC4STSKDM1AGPR119KDM4E
SCHEMBL5232203 0.84 DPP4 (0.33) KMT2A
SCHEMBL5232199 0.84 DPP4 (0.33) KMT2A
SCHEMBL3133058 0.80 HDAC4 (0.35) HDAC4STSKDM1AGPR119KDM4E
SCHEMBL3133282 0.69 DPP4 (0.46) HDAC4GPR119MAPTMYT1ALDH1A1
SCHEMBL5228855 0.68 DPP4 (0.49) ALDH1A1
SCHEMBL5229207 0.65 DPP4 (0.53) MEN1KMT2AALDH1A1
SCHEMBL5228676 0.65 DPP4 (0.41) MEN1KMT2AALDH1A1
SCHEMBL5228869 0.65 DPP4 (0.54) MEN1KMT2AALDH1A1
SCHEMBL5233907 0.65 DPP4 (0.54) GPR119ALDH1A1

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-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed