SCHEMBL7035709

SCHEMBL7035709

CC(C)(C)OC(=O)ON1CCC2(CC1)CC(C(=O)NC1CCC[C@H]1OCc1ccccc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 16/20 0.42
AXL P30530 14/20 0.42
MET P08581 2/20 0.42
TYRO3 Q06418 2/20 0.42
P2RX7 Q99572 1/20 0.40
PTGES O14684 3/20 0.39
PTGS2 P35354 3/20 0.39

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
SCHEMBL6409298 1.00 MERTK (0.42) MERTKAXLMETTYRO3P2RX7
SCHEMBL2401521 0.91 GPR119 (0.48) MERTKAXLMETTYRO3P2RX7
SCHEMBL6411128 0.89 MERTK (0.44) MERTKAXLMETTYRO3P2RX7
SCHEMBL2402565 0.82 MERTK (0.42) MERTKAXLMETTYRO3P2RX7
SCHEMBL2400801 0.82 MERTK (0.47) MERTKAXLMETTYRO3P2RX7
SCHEMBL2401835 0.82 MERTK (0.42) MERTKAXLMETTYRO3P2RX7
Hydrochloric Acid SCHEMBL2402509 0.81 MERTK (0.46) MERTKAXLMETTYRO3P2RX7
SCHEMBL6415824 0.81 LMNA (0.43)
SCHEMBL2401891 0.80 MEN1 (0.42) MERTKAXLMETTYRO3P2RX7
SCHEMBL2403325 0.79 KCNA5 (0.51) MERTKAXLMETTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed