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SCHEMBL4660109

SCHEMBL4660109

CC(C)(C)OC(=O)N=C(N)N(CCNc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 18/20 0.40
▸ PLAU P00749 2/20 0.36

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
SCHEMBL2331467 0.89 SCNN1A (0.46) SCNN1A
SCHEMBL6397983 0.86 PLAU (0.40) SCNN1APLAU
SCHEMBL938701 0.85 SCNN1A (0.44) SCNN1APLAU
SCHEMBL938255 0.81 SCNN1A (0.49) SCNN1APLAU
Hydrochloric Acid SCHEMBL938699 0.80 SCNN1A (0.48) SCNN1APLAU
SCHEMBL937595 0.80 SCNN1A (0.38) SCNN1A
SCHEMBL936394 0.79 SCNN1A (0.48) SCNN1APLAU
Hydrochloric Acid SCHEMBL937735 0.79 SCNN1A (0.47) SCNN1APLAU
Hydrochloric Acid SCHEMBL938986 0.79 SCNN1A (0.47) SCNN1APLAU
SCHEMBL964853 0.79 SCNN1A (0.48) SCNN1APLAU

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
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 — — EP disclosed