SCHEMBL7666201

SCHEMBL7666201

Cc1c(CNC(=O)CN(C)C)ccc2nc(N[C@@H](C)C(=O)N3C=CCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 8/20 0.49
ELANE P08246 17/20 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
SCHEMBL6507926 0.87 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6496017 0.78 CTRB1 (0.77) CTRB1ELANE
SCHEMBL6804899 0.75 CTRB1 (0.42) CTRB1ELANE
SCHEMBL6800770 0.75 CTRB1 (0.67) CTRB1ELANE
SCHEMBL6503610 0.71 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6803206 0.71 CTRB1 (0.52) CTRB1ELANE
SCHEMBL7446638 0.70 CTRB1 (0.42) CTRB1ELANE
SCHEMBL6498490 0.69 CTRB1 (0.58) CTRB1ELANE
SCHEMBL6505085 0.68 CTRB1 (0.56) CTRB1ELANE
SCHEMBL7438783 0.68 ELANE (0.50) CTRB1ELANE

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