SCHEMBL4081408

SCHEMBL4081408

CCC1COC(=O)N1c1nc(-c2ccc(Br)cc2)c(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.35
IDH1 O75874 14/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
CACNA1B Q00975 1/20 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
SCHEMBL4076408 1.00 MTOR (0.35) MTORIDH1RXFP1MAPTHTT
SCHEMBL4075542 0.87 MTOR (0.38) MTORIDH1RXFP1MAPTHTT
SCHEMBL4075732 0.87 MTOR (0.38) MTORIDH1RXFP1MAPTHTT
SCHEMBL4496745 0.86 IDH1 (0.36) MTORIDH1MAPTP2RX3P2RX2
SCHEMBL4076669 0.78 CA1 (0.47) IDH1MAPT
SCHEMBL4075686 0.78 CA1 (0.47) IDH1MAPT
SCHEMBL4075212 0.78 CA1 (0.47) IDH1MAPT
SCHEMBL27774004 0.76 MAPT (0.32) RXFP1MAPTHTTNPSR1
SCHEMBL27826411 0.76 MAPT (0.32) RXFP1MAPTHTTNPSR1
SCHEMBL4499677 0.74 IDH1 (0.35) MTORIDH1MAPTP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP claimed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed