SCHEMBL4450755

SCHEMBL4450755

[CH2]CC(=O)NS(=O)(=O)c1ccc(Cn2c(CCCC)nc(Cl)c2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.53
AGTR1 P30556 5/20 0.53
GP6 Q9HCN6 1/20 0.48

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
SCHEMBL1458410 0.91 AGTR2 (0.53) AGTR2AGTR1GP6
SCHEMBL4300556 0.91 AGTR2 (0.53) AGTR2AGTR1GP6
SCHEMBL4447594 0.90 AGTR2 (0.54) AGTR2AGTR1GP6
SCHEMBL4300560 0.89 AGTR2 (0.54) AGTR2AGTR1GP6
SCHEMBL4302419 0.87 AGTR2 (0.53) AGTR2AGTR1GP6
SCHEMBL1458651 0.84 TLR7 (0.48) AGTR2AGTR1GP6
SCHEMBL1459467 0.83 AGTR1 (0.52) AGTR2AGTR1GP6
SCHEMBL2279624 0.82 AGTR1 (0.52) AGTR2AGTR1GP6
SCHEMBL9149184 0.82 AGTR2 (0.51) AGTR2AGTR1GP6
SCHEMBL1458517 0.81 AGTR1 (0.56) AGTR2AGTR1GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
EP-2297113-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-03-23 EP disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed