SCHEMBL7657656

SCHEMBL7657656

COc1c(I)cc(C[C@@H](CN2CCCC2)Nc2nc3ccc(NC(=O)[C@@H]4C(=O)CCN4C)c(C)c3c(=O)o2)cc1I

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.37
CTRB1 P17538 4/20 0.37
MCHR1 Q99705 2/20 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
SCHEMBL6807510 0.89 ELANE (0.37) ELANECTRB1MCHR1
SCHEMBL6806600 0.77 ELANE (0.37) ELANECTRB1
SCHEMBL6806250 0.72 CTRB1 (0.41) ELANECTRB1
SCHEMBL6497251 0.72 ELANE (0.38) ELANECTRB1
SCHEMBL7662984 0.70 ELANE (0.37) ELANECTRB1
SCHEMBL6503996 0.70 ELANE (0.60) ELANECTRB1
SCHEMBL7840236 0.69 ELANE (0.59) ELANECTRB1
SCHEMBL6806815 0.69 CTRB1 (0.53) ELANECTRB1
SCHEMBL7445651 0.69 ELANE (0.58) ELANECTRB1
SCHEMBL6499181 0.67 ELANE (0.35) 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