SCHEMBL3661385

SCHEMBL3661385

CCCCOC(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(Cl)c2CN)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.67
AGTR1 P30556 1/20 0.67

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
SCHEMBL734 0.91 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL1256252 0.89 AGTR2 (0.66) AGTR2AGTR1
SCHEMBL9721 0.88 AGTR1 (0.85) AGTR2AGTR1
SCHEMBL3658233 0.86 GP6 (0.61) AGTR2AGTR1
SCHEMBL3665032 0.84 AGTR1 (0.57) AGTR2AGTR1
SCHEMBL462 0.83 AGTR2 (0.80) AGTR2AGTR1
SCHEMBL7905325 0.83 AGTR1 (0.58) AGTR2AGTR1
SCHEMBL8792660 0.83 AGTR2 (0.70) AGTR2AGTR1
SCHEMBL18872571 0.82 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL883 0.82 AGTR1 (0.69) AGTR2AGTR1

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-2146963-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-01-27 EP disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed