SCHEMBL8990917

SCHEMBL8990917

COc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
GHSR Q92847 1/20 0.34
ROCK1 Q13464 1/20 0.31

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
SCHEMBL8990760 0.94 AGTR1 (0.34) AGTR1GHSRROCK1
SCHEMBL8990903 0.92 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990937 0.91 AGTR1 (0.38) AGTR1GHSR
SCHEMBL8991106 0.88 AGTR1 (0.36) AGTR1GHSRROCK1
SCHEMBL8990826 0.85 FPR1 (0.34) GHSR
SCHEMBL8991062 0.85 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8991053 0.84 GHSR (0.33) GHSR
SCHEMBL8991009 0.84 GHSR (0.42) GHSR
SCHEMBL8990868 0.82 KMT2A (0.34)
SCHEMBL8991098 0.82 AGTR1 (0.36) AGTR1GHSRROCK1

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed