SCHEMBL8397132

SCHEMBL8397132

CCCCc1nc2cc(C)ccc2n1-c1ccc(-c2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
AGTR2 P50052 3/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL8392247 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8396137 0.91 HSD17B10 (0.47) AGTR1AGTR2
SCHEMBL8392917 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8392836 0.91 LMNA (0.48) AGTR1AGTR2
SCHEMBL8392422 0.91 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8396737 0.91 PPARG (0.49) AGTR1AGTR2
SCHEMBL8396601 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8394747 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8395220 0.89 PPARG (0.49) AGTR1AGTR2PDE10A
SCHEMBL8396010 0.89 AGTR1 (0.47) 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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed