SCHEMBL8852521

SCHEMBL8852521

[CH2]n1c(CCCC)nc(Cl)c1CO

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.44
AGTR2 P50052 3/20 0.44

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
SCHEMBL6866633 0.81 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL25964231 0.80 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL13840112 0.78 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL11100306 0.72 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL3874586 0.71 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL559 0.71 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL352 0.71 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL984922 0.70 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9205141 0.69 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL653 0.68 AGTR1 (0.62) 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-5696116-A TREATING DISORDERS ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. (US) 1997-12-09 US disclosed