SCHEMBL7656409

SCHEMBL7656409

Cc1c(CN(C(=O)O)C(C)(C)C)ccc2nc(N[C@@H](C)C(=O)N(C)CCN3CCCCC3)oc(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 6/20 0.38
ELANE P08246 15/20 0.37
HRH3 Q9Y5N1 3/20 0.33

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
SCHEMBL6504392 0.88 CTRB1 (0.44) CTRB1ELANE
SCHEMBL6528339 0.81 TACR1 (0.33) CTRB1ELANE
SCHEMBL7847884 0.81 ELANE (0.37) CTRB1ELANE
SCHEMBL6528359 0.81 CTRB1 (0.36) CTRB1ELANE
SCHEMBL6528361 0.81 CTRB1 (0.36) CTRB1ELANE
SCHEMBL6505542 0.80 ELANE (0.43) CTRB1ELANE
SCHEMBL6807087 0.79 ELANE (0.34) CTRB1ELANE
SCHEMBL6504856 0.78 CTRB1 (0.47) CTRB1ELANE
SCHEMBL6503648 0.77 ELANE (0.61) CTRB1ELANE
SCHEMBL6806792 0.76 ELANE (0.43) 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 disclosed