SCHEMBL9700600

SCHEMBL9700600

CCC#Cc1nc(C(=O)C2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.34
AGTR2 P50052 3/20 0.34
RIPK1 Q13546 1/20 0.33
PPARG P37231 2/20 0.32

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
SCHEMBL9528264 0.89 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL9530272 0.86 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9527172 0.86 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9527886 0.85 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527487 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9527159 0.85 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9528331 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529090 0.84 AGTR1 (0.34) AGTR1AGTR2PPARG
SCHEMBL9527893 0.84 AGTR1 (0.37) AGTR1AGTR2RIPK1
SCHEMBL9528631 0.84 AGTR1 (0.38) 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