SCHEMBL7900422

SCHEMBL7900422

CC(C)(C)OC(=O)N1CCCC(C2Cc3cccc(F)c3N2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
USP30 Q70CQ3 3/20 0.42
GPR119 Q8TDV5 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.40
KDM1A O60341 1/20 0.40
ACKR3 P25106 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL7898292 0.84 BTK (0.42) BTKUSP30GPR119JAK2JAK1
SCHEMBL7901892 0.83 MAPK1 (0.49) USP30GPR119JAK2JAK1PRMT5
SCHEMBL7901506 0.78 GPR119 (0.42) BTKUSP30GPR119JAK2JAK1
SCHEMBL7898726 0.76 USP30 (0.46) USP30GPR119MEN1ALDH1A1MAPT
SCHEMBL7900093 0.76 BTK (0.44) BTKUSP30GPR119JAK2JAK1
SCHEMBL19405061 0.72 GPR119 (0.52) USP30GPR119MAPTHPGDS
SCHEMBL7901095 0.71 HPGDS (0.46) USP30GPR119JAK2JAK1PRMT5
SCHEMBL7899985 0.71 USP30 (0.43) BTKUSP30GPR119MEN1ALDH1A1
SCHEMBL25047542 0.70 MEN1 (0.55) USP30GPR119MEN1ALDH1A1MAPT
SCHEMBL12808125 0.70 MEN1 (0.55) USP30GPR119MEN1ALDH1A1MAPT

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed