SCHEMBL6013442

SCHEMBL6013442

N=C(N)N(CCCCc1ccc(OCCCc2ncc[nH]2)cc1)C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 20/20 0.46

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
SCHEMBL4146570 0.87 SCNN1A (0.51) SCNN1A
Hydrochloric Acid SCHEMBL916448 0.86 SCNN1A (0.44) SCNN1A
SCHEMBL916915 0.84 SCNN1A (0.46) SCNN1A
Hydrochloric Acid SCHEMBL5673038 0.84 SCNN1A (0.50) SCNN1A
Hydrochloric Acid SCHEMBL6013453 0.83 SCNN1A (0.46) SCNN1A
SCHEMBL937409 0.83 SCNN1A (0.47) SCNN1A
SCHEMBL12003604 0.83 SCNN1A (0.49) SCNN1A
Hydrochloric Acid SCHEMBL19348119 0.82 SCNN1A (0.49) SCNN1A
SCHEMBL6013444 0.82 SCNN1A (0.46) SCNN1A
Hydrochloric Acid SCHEMBL4294352 0.82 SCNN1A (0.48) SCNN1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed