SCHEMBL3637010

SCHEMBL3637010

[CH2]c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.51
AGTR2 P50052 2/20 0.51
PPARG P37231 1/20 0.49

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
SCHEMBL3637013 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL4881131 0.90 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL3636587 0.89 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL3640446 0.86 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7312772 0.86 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL7299305 0.86 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL3636583 0.86 AGTR1 (0.59) AGTR1
SCHEMBL8847521 0.85 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL3634917 0.85 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL9045249 0.84 AGTR1 (0.49) AGTR1AGTR2PPARG

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
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 EP disclosed
EP-2162442-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-03-17 EP disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO disclosed