SCHEMBL763170

SCHEMBL763170

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1OC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 0.40
JAK1 P23458 1/20 0.39
KCNA3 P22001 1/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
BCHE P06276 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MEN1 O00255 1/20 0.38
SCN9A Q15858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7825129 0.88 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL7825124 0.88 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL7825126 0.88 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL8741001 0.88 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL19212166 0.84 KMT2A (0.53) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL7835003 0.84 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL3187533 0.84 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL3187519 0.84 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL7834998 0.84 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL1781856 0.84 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2DRD2

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed