SCHEMBL8910549

SCHEMBL8910549

CC(C)(N)C(=O)N[C@@H]1CCc2cccnc2N(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 0.52
RIPK1 Q13546 5/20 0.40
XIAP P98170 8/20 0.40
MME P08473 1/20 0.37
ACE P12821 1/20 0.37

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
SCHEMBL8908975 0.92 GHSR (0.62) GHSRAGTR1RIPK1XIAP
SCHEMBL9023962 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL9024436 0.89 GHSR (0.65) GHSRAGTR1XIAPMMEACE
SCHEMBL8909466 0.85 GHSR (0.49) GHSRAGTR1RIPK1XIAP
SCHEMBL8908989 0.85 GHSR (0.49) GHSRAGTR1RIPK1XIAP
SCHEMBL9024515 0.84 GHSR (0.61) GHSRAGTR1XIAPMMEACE
SCHEMBL8909428 0.84 GHSR (0.53) GHSRAGTR1XIAPMMEACE
SCHEMBL8909665 0.83 GHSR (0.51) GHSRAGTR1XIAPMMEACE
SCHEMBL9024833 0.83 GHSR (0.59) GHSRAGTR1XIAPMMEACE
SCHEMBL8909818 0.82 GHSR (0.60) GHSRAGTR1RIPK1XIAPMME

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