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SCHEMBL8995722

SCHEMBL8995722

CSc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N(Cc1ccc(-c3ccccc3)c(-c3nnn[nH]3)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.32
▸ GHSR Q92847 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
SCHEMBL8991115 0.94 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8990756 0.88 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8990977 0.85 AGTR1 (0.40) AGTR1GHSR
SCHEMBL8990738 0.85 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8990912 0.85 HDAC1 (0.34) AGTR1GHSR
SCHEMBL8991106 0.84 AGTR1 (0.36) AGTR1GHSR
SCHEMBL8991075 0.82 GHSR (0.46) AGTR1GHSR
SCHEMBL8990843 0.80 GHSR (0.32) AGTR1GHSR
SCHEMBL8991039 0.80 AGTR1 (0.41) AGTR1GHSR
SCHEMBL8990922 0.80 AGTR1 (0.37) AGTR1GHSR

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 — — US disclosed