SCHEMBL5499322

SCHEMBL5499322

Nc1cc2c(cc1CC1CC1)NC(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
AHR P35869 3/20 0.38
CMA1 P23946 2/20 0.38
EIF2AK2 P19525 1/20 0.37
GRIN1 Q05586 2/20 0.37
SMYD3 Q9H7B4 7/20 0.36
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 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
SCHEMBL5499457 0.81 AHR (0.42) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5501521 0.77 PGR (0.40) EPHX2AHRCMA1EIF2AK2GRIN1
SCHEMBL5504321 0.77 GRIA1 (0.39) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5503888 0.77 AHR (0.39) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL2491904 0.76 AHR (0.50) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5499443 0.76 VDR (0.42) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5502616 0.74 F10 (0.35) GRIN1SMYD3
SCHEMBL5505557 0.74 EPHX2 (0.46) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL188979 0.74 GRIA1 (0.37) EPHX2AHRCMA1EIF2AK2SMYD3
SCHEMBL5502648 0.72 EPHX2 (0.51) EPHX2AHRCMA1EIF2AK2SMYD3

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