SCHEMBL13814577

SCHEMBL13814577

CCCc1nc2cc(C(=O)N[C@H](C)CC(=O)NO)cc(C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 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
SCHEMBL7891164 0.91 AGTR1 (0.47) AGTR1
SCHEMBL3712686 0.85 PPARG (0.51) AGTR1
SCHEMBL2126757 0.83 AGTR1 (0.47) AGTR1
SCHEMBL13814580 0.82 AGTR1 (0.48) AGTR1
SCHEMBL2128426 0.80 AGTR1 (0.59) AGTR1
SCHEMBL2126672 0.74 AGTR1 (0.49) AGTR1
Dimethylamine SCHEMBL9443026 0.73 AGTR1 (0.51) AGTR1
SCHEMBL9193754 0.73 PPARG (0.60)
SCHEMBL9197830 0.73 AGTR2 (0.57) AGTR1
SCHEMBL2127380 0.73 AGTR1 (0.58) AGTR1

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