SCHEMBL4749797

SCHEMBL4749797

O=C(O)N1CCN(C(=O)O)C(CCOC2Cc3ccccc3C2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PRSS1 P07477 3/20 0.36
F2 P00734 2/20 0.36
BCHE P06276 2/20 0.35
OPRK1 P41145 1/20 0.34
NAMPT P43490 1/20 0.34
PREP P48147 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL4285806 1.00 PRMT5 (0.36) PRMT5WDR77FNTAFNTBPRSS1
SCHEMBL3494366 0.80 TEAD1 (0.50) KDM4EALDH1A1
SCHEMBL4287366 0.77 CA1 (0.38) PRMT5WDR77NAMPTIDO1CA1
SCHEMBL4284550 0.76 TEAD1 (0.46) KDM4EALDH1A1
SCHEMBL4282070 0.76 NPC1 (0.48) KDM4EALDH1A1
SCHEMBL4297009 0.75 KDM4E (0.47) KDM4EALDH1A1NPSR1
SCHEMBL4287638 0.75 LMNA (0.50) KDM4EALDH1A1
SCHEMBL4283481 0.75 MEN1 (0.47) KDM4EALDH1A1
SCHEMBL4287941 0.75 KDM4E (0.47) KDM4EALDH1A1NPSR1
SCHEMBL4281174 0.74 ALDH1A1 (0.46) KDM4EALDH1A1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed