SCHEMBL14610985

SCHEMBL14610985

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2[SH](=O)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.66
AGTR2 P50052 3/20 0.66

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
SCHEMBL8843709 0.85 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL5434268 0.85 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL13743046 0.84 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL683347 0.84 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL5150942 0.83 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL7387302 0.82 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8565668 0.82 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8559031 0.82 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL14409680 0.82
SCHEMBL8563050 0.81 AGTR1 (0.63) 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-2007019448-A2 NITRIC OXIDE ENHANCING ANGIOTENSIN II ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-15 WO disclosed