SCHEMBL5502896

SCHEMBL5502896

NC[C@@H]1CN(c2cc3c(cc2CCF)NC(=O)C3)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
SMYD3 Q9H7B4 4/20 0.33
HTR1A P08908 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX2 P34913 1/20 0.31
GRM2 Q14416 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
CALML3 P27482 2/20 0.31
GRIA1 P42261 1/20 0.30
CACNG8 Q8WXS5 1/20 0.30

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
SCHEMBL5501644 0.90 F10 (0.35) F10GRM2GRIA1CACNG8
SCHEMBL5502616 0.86 F10 (0.35) F10SMYD3
SCHEMBL5499028 0.84 F10 (0.37) F10SMYD3GRM2GRIA1CACNG8
SCHEMBL5499874 0.81 F10 (0.39) F10GRM2GRIA1CACNG8
SCHEMBL5502470 0.81 F10 (0.37) F10SMYD3HTR1AEPHX2DRD2
SCHEMBL5502999 0.81 F10 (0.37) F10SMYD3HTR1AEPHX2DRD2
SCHEMBL5500465 0.78 F10 (0.35) F10GRM2
SCHEMBL4659280 0.78 F10 (0.36) F10SMYD3GRM2GRIA1CACNG8
SCHEMBL5503888 0.74 AHR (0.39) SMYD3EPHX2GRIA1CACNG8
SCHEMBL5499076 0.73 GRM2 (0.37) F10GRM2CALML3

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-1869029-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
EP-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006106426-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-12 WO disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed