SCHEMBL8906986

SCHEMBL8906986

CCCCc1nc2ccc(C3=NCCN3C)cc2n1-c1cccc(-c2ccccc2C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
PPARG P37231 3/20 0.43

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
SCHEMBL8907097 0.95 PPARG (0.46) AGTR1AGTR2PPARG
SCHEMBL8906645 0.92 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL8906656 0.88 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL8906985 0.85 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL8907089 0.85 PPARG (0.44) AGTR1AGTR2PPARG
SCHEMBL8906716 0.85 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL8906672 0.83 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL8905966 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL8906946 0.82 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8905418 0.82 AGTR1 (0.48) AGTR1AGTR2PPARG

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed