SCHEMBL7901892

SCHEMBL7901892

CC(C)(C)OC(=O)N1CCCC(C2Cc3ccccc3N2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
GPR119 Q8TDV5 5/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
USP30 Q70CQ3 3/20 0.45
HPGDS O60760 1/20 0.44
KDM1A O60341 1/20 0.44
NAMPT P43490 2/20 0.43
ACKR3 P25106 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7898726 0.86 USP30 (0.46) GPR119USP30MEN1ALDH1A1MAPT
SCHEMBL7900422 0.83 BTK (0.44) GPR119JAK2JAK1PRMT5WDR77
SCHEMBL7898292 0.83 BTK (0.42) GPR119JAK2JAK1USP30HPGDS
SCHEMBL626068 0.79 USP30 (0.45) MAPK1GPR119JAK2JAK1PRMT5
SCHEMBL627261 0.79 USP30 (0.45) MAPK1GPR119JAK2JAK1PRMT5
SCHEMBL626070 0.79 USP30 (0.45) MAPK1GPR119JAK2JAK1PRMT5
SCHEMBL626069 0.79 USP30 (0.45) MAPK1GPR119JAK2JAK1PRMT5
SCHEMBL627260 0.79 USP30 (0.45) MAPK1GPR119JAK2JAK1PRMT5
SCHEMBL7901250 0.78 HTR6 (0.45) GPR119JAK2JAK1USP30HPGDS
SCHEMBL7906017 0.77 HPGDS (0.42) GPR119JAK2JAK1HPGDSMEN1

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