SCHEMBL8990823

SCHEMBL8990823

CSc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
GHSR Q92847 1/20 0.42
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8990860 0.90 GHSR (0.48) AGTR1GHSR
SCHEMBL9694552 0.90 GHSR (0.48) AGTR1GHSR
SCHEMBL8991062 0.90 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8991075 0.87 GHSR (0.46) AGTR1GHSR
SCHEMBL8991057 0.87 GHSR (0.40) AGTR1GHSRSIGMAR1
SCHEMBL8990793 0.84 GHSR (0.38) AGTR1GHSRSIGMAR1
SCHEMBL8990884 0.83 GHSR (0.36) AGTR1GHSR
SCHEMBL8990788 0.82 GHSR (0.47) AGTR1GHSRSIGMAR1
SCHEMBL8990919 0.82 GHSR (0.40) AGTR1GHSR
SCHEMBL8990845 0.82 GHSR (0.37) AGTR1GHSRSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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