SCHEMBL8701715

SCHEMBL8701715

CCOC(=O)C1(c2cnc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)nc2)CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.34
TSPO P30536 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL244403 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7471672 0.81 AGTR1 (0.37) AGTR1AGTR2TSPO
SCHEMBL7422797 0.77 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL244989 0.76
SCHEMBL8707753 0.75 AGTR1 (0.37) AGTR1AGTR2TSPOKDM4EALDH1A1
SCHEMBL8700740 0.74 AGTR1 (0.37) AGTR1AGTR2TSPOKDM4EALDH1A1
SCHEMBL7422539 0.73 AGTR1 (0.31) AGTR1AGTR2ALDH1A1
SCHEMBL7413327 0.73 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8700948 0.72
SCHEMBL245008 0.71 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-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed