SCHEMBL5834067

SCHEMBL5834067

CO[C@@](C)(N)[C@H]1CN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C[C@H]1F

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.30
LITAF Q99732 4/20 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
SCHEMBL4519941 0.90
SCHEMBL1382387 0.82 KCNH2 (0.34) TNFLITAF
SCHEMBL1382411 0.82 KCNH2 (0.34) TNFLITAF
SCHEMBL4511107 0.81 KCNH2 (0.34)
SCHEMBL1384224 0.81 KCNH2 (0.34)
SCHEMBL1384792 0.80 KCNH2 (0.30)
SCHEMBL5909017 0.79
SCHEMBL4512976 0.79
SCHEMBL1383304 0.79
SCHEMBL1383580 0.79 CYP1A2 (0.32)

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
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US claimed