SCHEMBL7662984

SCHEMBL7662984

Cc1c(N(CCN(C)C)C(N)=O)ccc2nc(N[C@@H](Cc3cc(I)c(O)c(I)c3)CN3CCCC3)oc(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.37
CTRB1 P17538 3/20 0.37

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
SCHEMBL6807649 0.87 ELANE (0.37) ELANECTRB1
SCHEMBL6497251 0.83 ELANE (0.38) ELANECTRB1
SCHEMBL8612868 0.78 ELANE (0.44) ELANECTRB1
SCHEMBL6806317 0.73 ELANE (0.38) ELANECTRB1
SCHEMBL6498173 0.71 ELANE (0.37) ELANECTRB1
SCHEMBL6504060 0.70 ELANE (0.40) ELANECTRB1
SCHEMBL7657656 0.70 ELANE (0.37) ELANECTRB1
SCHEMBL6807510 0.69 ELANE (0.37) ELANECTRB1
SCHEMBL6805429 0.68 ELANE (0.35) ELANECTRB1
SCHEMBL6504052 0.68 ELANE (0.39) ELANECTRB1

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-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed