SCHEMBL4023625

SCHEMBL4023625

CC(C)(C)OC(=O)C(N)(C(=O)OC(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
EPHX2 P34913 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
PRSS1 P07477 4/20 0.39
CTSG P08311 4/20 0.39
CTRB1 P17538 4/20 0.39
CMA1 P23946 4/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
NOS3 P29474 1/20 0.35

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
SCHEMBL1147767 0.80 EPHX2 (0.39) KIF11EPHX2GPR119PRSS1CTSG
SCHEMBL3622009 0.74 DGAT1 (0.43) CA1CA2ALDH1A1MAPTAR
SCHEMBL2582578 0.74 DGAT1 (0.43) CA1CA2ALDH1A1MAPTAR
SCHEMBL1554119 0.74 DGAT1 (0.43) CA1CA2ALDH1A1MAPTAR
SCHEMBL21439195 0.74 SMN1; SMN2 (0.44) EPHX2GPR119PRSS1CTSGCTRB1
SCHEMBL28764420 0.73 KIF11 (0.46) KIF11EPHX2PRSS1CTSGCTRB1
SCHEMBL3503826 0.73 KMT2A (0.44) MAPTRXFP1
SCHEMBL20738675 0.73 EPHX2 (0.43) KIF11EPHX2GPR119PRSS1CTSG
SCHEMBL1525551 0.73 MEN1 (0.43) ALDH1A1MAPTPOLB
SCHEMBL4884087 0.73 SLC22A12 (0.44) GPR119CA1CA2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
US-7074805-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-07-11 US disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed