SCHEMBL5282437

SCHEMBL5282437

COC1CN(c2c(F)cc(N)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
CNR2 P34972 1/20 0.33
DPP4 P27487 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
MAP3K12 Q12852 3/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
AOC3 Q16853 1/20 0.30
MAOA P21397 1/20 0.30
CACNA2D1 P54289 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA2D2 Q9NY47 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
SCHEMBL5284741 0.81 ACACB (0.37) ACACBCNR2
SCHEMBL4706606 0.77 MAOA (0.33) MAOA
SCHEMBL236762 0.76 KDM4E (0.35) MAOA
SCHEMBL5281743 0.76 ALDH1A1 (0.38) ACACBCNR2
SCHEMBL238837 0.76 MAOA (0.32) ACACBMAOA
SCHEMBL239087 0.76 MAOA (0.32) ACACBMAOA
SCHEMBL29209046 0.75 KDM4E (0.46) MAOA
SCHEMBL240100 0.75 KDM4E (0.46) MAOA
SCHEMBL3563045 0.75 SCN9A (0.38) MAOAKCNH2
SCHEMBL6209260 0.74 MAOA (0.34) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed