Sugi Predict

Sugi Predict / Compounds / SCHEMBL8990937

SCHEMBL8990937

SCHEMBL8990937

CC(C)(CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.38
▸ GHSR Q92847 1/20 0.38

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
SCHEMBL8990903 0.92 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990917 0.91 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990860 0.88 GHSR (0.48) AGTR1GHSR
SCHEMBL9694552 0.88 GHSR (0.48) AGTR1GHSR
SCHEMBL8990977 0.87 AGTR1 (0.40) AGTR1GHSR
SCHEMBL8991062 0.85 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990760 0.85 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990919 0.84 GHSR (0.40) AGTR1GHSR
SCHEMBL8990833 0.84 GHSR (0.35) AGTR1GHSR
SCHEMBL8990997 0.83 GHSR (0.40) 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