SCHEMBL5502470

SCHEMBL5502470

NCC1CN(c2cc3c(cc2C2CC2)NC(=O)C3)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
EPHX2 P34913 1/20 0.34
SMYD3 Q9H7B4 8/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
GRIA1 P42261 2/20 0.32
CACNG8 Q8WXS5 1/20 0.31

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
SCHEMBL5502999 1.00 F10 (0.37) F10EPHX2SMYD3HTR1ADRD2
SCHEMBL5499874 0.82 F10 (0.39) F10GRIA1CACNG8
SCHEMBL5502616 0.82 F10 (0.35) F10SMYD3
SCHEMBL5502896 0.81 F10 (0.36) F10EPHX2SMYD3HTR1ADRD2
SCHEMBL5499028 0.81 F10 (0.37) F10SMYD3GRIA1CACNG8
SCHEMBL5501644 0.80 F10 (0.35) F10GRIA1CACNG8
SCHEMBL4659280 0.79 F10 (0.36) F10SMYD3GRIA1CACNG8
SCHEMBL5505557 0.73 EPHX2 (0.46) EPHX2SMYD3GRIA1CACNG8
SCHEMBL5499076 0.72 GRM2 (0.37) F10
SCHEMBL5502203 0.71 F10 (0.34) F10

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-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed