Sugi Predict

Sugi Predict / Compounds / SCHEMBL8909428

SCHEMBL8909428

SCHEMBL8909428

CC(C)(N)C(=O)N[C@@H]1CCc2sccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ XIAP P98170 10/20 0.39
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ NPY1R P25929 1/20 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
SCHEMBL9117660 0.93 GHSR (0.52) GHSRAGTR1XIAP
SCHEMBL8909523 0.92 GHSR (0.64) GHSRAGTR1XIAPNPY1R
SCHEMBL9023962 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL9024436 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL8909665 0.89 GHSR (0.51) GHSRAGTR1XIAPMMEACE
SCHEMBL8908983 0.86 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9114349 0.85 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL8910356 0.85 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL1388243 0.84 GHSR (0.59) GHSRAGTR1XIAPMMEACE
SCHEMBL9024515 0.84 GHSR (0.61) GHSRAGTR1XIAPMMEACE

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-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 — — US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 — — WO disclosed