SCHEMBL13814580

SCHEMBL13814580

CCCc1nc2cc(C(=O)N[C@H](C)CC(=O)NO)cc(C)c2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.48
AGTR2 P50052 6/20 0.48
PPARG P37231 4/20 0.46

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
SCHEMBL2606671 0.89 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL2126672 0.88 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL13814622 0.81 TLR7 (0.45) AGTR1AGTR2PPARG
SCHEMBL2126682 0.78 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL2125878 0.75 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL7891164 0.74 AGTR1 (0.47) AGTR1
SCHEMBL2126957 0.73 TLR7 (0.44) AGTR1AGTR2PPARG
SCHEMBL13814579 0.69 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL4880144 0.69 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL4887978 0.67 AGTR1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009076288-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed