SCHEMBL7413327

SCHEMBL7413327

CCOC(=O)C1(c2ccc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)s2)Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.39
AGTR2 P50052 1/20 0.36
GPR4 P46093 1/20 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
SCHEMBL8707753 0.91 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL244556 0.91 AGTR1 (0.41) AGTR1AGTR2GPR4
SCHEMBL8700740 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7471672 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL2876441 0.81 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL245008 0.81 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL243509 0.80 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8705362 0.78 GPR4 (0.43) GPR4
SCHEMBL8700760 0.77 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL2884118 0.77

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-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed