SCHEMBL9102829

SCHEMBL9102829

Cc1ccc2c(c1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)[C@H](NC(=O)CC(C)(C)NCc1cnco1)CS2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
AGTR1 P30556 2/20 0.41
XIAP P98170 2/20 0.34
TP53 P04637 3/20 0.33
LMNA P02545 3/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9105693 0.94 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL9107917 0.86 GHSR (0.45) GHSRAGTR1XIAPTP53LMNA
SCHEMBL9108338 0.85 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9107936 0.83 GHSR (0.43) GHSRAGTR1XIAP
SCHEMBL9107656 0.83 GHSR (0.41) GHSRAGTR1XIAPTP53LMNA
SCHEMBL9107707 0.82 GHSR (0.41) GHSRAGTR1XIAPTP53LMNA
SCHEMBL9103073 0.82 GHSR (0.40) GHSRAGTR1XIAPTP53LMNA
SCHEMBL9024591 0.80 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL9025080 0.80 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL9025758 0.80 GHSR (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed