SCHEMBL7830154

SCHEMBL7830154

COc1c[c]c(Cc2ccc(CN3CCCC3)c(C)c2)c(OCC2CCC(=O)N2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.35
IRAK1 P51617 1/20 0.34
F2 P00734 1/20 0.34
KMT2A Q03164 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.32

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
SCHEMBL7818700 0.85 MEN1 (0.41) IRAK4F2KMT2ACD274MEN1
SCHEMBL7445212 0.80 F2 (0.46) F2KMT2AMEN1TDP1
SCHEMBL7809457 0.80 F2 (0.41) F2CD274
SCHEMBL7811797 0.78 L3MBTL1 (0.35) F2KMT2AMEN1TSHRMAPK1
SCHEMBL7818690 0.77 S1PR1 (0.39) KMT2AMEN1
SCHEMBL7452338 0.76 RAB9A (0.44) F2KMT2ATSHRMAPK1TDP1
SCHEMBL7819938 0.76 F2 (0.37) IRAK4F2MAPK1
SCHEMBL6172597 0.75 F2 (0.59) F2
SCHEMBL6172605 0.75 F2 (0.59) F2
SCHEMBL7812445 0.74 F2 (0.49) F2CD274

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed