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Sugi Predict / Compounds / SCHEMBL9117660

SCHEMBL9117660

SCHEMBL9117660

CC(C)(N)C(=O)N[C@@H]1CCc2sccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O.CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3sccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.52
▸ AGTR1 P30556 1/20 0.47
▸ XIAP P98170 5/20 0.34

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
SCHEMBL9114349 0.93 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL8909428 0.93 GHSR (0.53) GHSRAGTR1XIAP
SCHEMBL8908961 0.91 GHSR (0.61) GHSRAGTR1XIAP
SCHEMBL8908968 0.91 GHSR (0.61) GHSRAGTR1XIAP
SCHEMBL9115566 0.88 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL9114326 0.87 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL8909523 0.85 GHSR (0.64) GHSRAGTR1XIAP
SCHEMBL8909510 0.83 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL8909502 0.83 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9024436 0.83 GHSR (0.65) GHSRAGTR1XIAP

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
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 — — WO claimed