SCHEMBL7891192

SCHEMBL7891192

CC(C)(C)OC(=O)N1CCCC(C2Nc3ccccc3C2C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.41
HPGDS O60760 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
MAPK1 P28482 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ACKR3 P25106 1/20 0.39
BTK Q06187 1/20 0.39
LIPE Q05469 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL626068 0.77 USP30 (0.45) USP30HPGDSGPR119JAK2JAK1
SCHEMBL627261 0.77 USP30 (0.45) USP30HPGDSGPR119JAK2JAK1
SCHEMBL627260 0.77 USP30 (0.45) USP30HPGDSGPR119JAK2JAK1
SCHEMBL626070 0.77 USP30 (0.45) USP30HPGDSGPR119JAK2JAK1
SCHEMBL626069 0.77 USP30 (0.45) USP30HPGDSGPR119JAK2JAK1
SCHEMBL7901892 0.76 MAPK1 (0.49) USP30HPGDSGPR119JAK2JAK1
SCHEMBL7901506 0.73 GPR119 (0.42) USP30HPGDSGPR119JAK2JAK1
SCHEMBL7898292 0.73 BTK (0.42) USP30HPGDSGPR119JAK2JAK1
SCHEMBL7903239 0.72 USP30 (0.39) USP30HPGDSGPR119JAK2JAK1
SCHEMBL13944381 0.72 MAPK1 (0.49) USP30HPGDSGPR119JAK2JAK1

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