SCHEMBL6818476

SCHEMBL6818476

CCNC(=O)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
PDE10A Q9Y233 1/20 0.31
ALB P02768 2/20 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
SCHEMBL6821693 0.92 PDE10A (0.34) GHSRPDE10AALB
SCHEMBL6818132 0.91 GHSR (0.32) GHSRALB
SCHEMBL7065745 0.91 ITK (0.32) ALB
SCHEMBL6818244 0.90 PDE10A (0.34) GHSRPDE10AALB
SCHEMBL6817342 0.90 ALB (0.32) GHSRPDE10AALB
SCHEMBL6814204 0.89 GHSR (0.32) GHSRALB
SCHEMBL6818601 0.89 DHODH (0.33) GHSRALB
SCHEMBL6818936 0.89 ITK (0.32) ALB
SCHEMBL7066829 0.89 ALB (0.32) ALB
SCHEMBL6819494 0.89 ALB (0.33) GHSRALB

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed