SCHEMBL3665032

SCHEMBL3665032

CCCCOC(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(Cl)c2C=NO)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.57
AGTR2 P50052 2/20 0.57

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
SCHEMBL16305582 0.91 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL3658233 0.91 GP6 (0.61) AGTR1AGTR2
SCHEMBL1257852 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL1257850 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL3661385 0.84 AGTR2 (0.67) AGTR1AGTR2
SCHEMBL7905281 0.83 PPARG (0.52) AGTR1AGTR2
SCHEMBL359 0.82 GP6 (0.63) AGTR1AGTR2
SCHEMBL3665561 0.81 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL1258200 0.80 GP6 (0.60) AGTR1AGTR2
SCHEMBL626 0.79 AGTR1 (0.57) AGTR1AGTR2

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