SCHEMBL9700905

SCHEMBL9700905

CCC(C)c1nc(C(=O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
AGTR2 P50052 4/20 0.35

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
SCHEMBL9527585 0.92 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL6005402 0.91 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9528235 0.91 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9527938 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9699286 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6008028 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529471 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9529277 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529383 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6005956 0.84 AGTR1 (0.35) 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
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed