SCHEMBL9105693

SCHEMBL9105693

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1cnco1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
AGTR1 P30556 2/20 0.44
XIAP P98170 2/20 0.37
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
F2 P00734 1/20 0.34
ACE P12821 4/20 0.33
MME P08473 3/20 0.33
RIPK1 Q13546 1/20 0.32

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
SCHEMBL9102829 0.94 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL9107917 0.92 GHSR (0.45) GHSRAGTR1XIAPF7F3
SCHEMBL9108338 0.88 GHSR (0.56) GHSRAGTR1XIAPACEMME
SCHEMBL9107936 0.88 GHSR (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL9025080 0.86 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL9024591 0.86 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL14288709 0.85 GHSR (0.58) GHSRAGTR1XIAPF7F3
SCHEMBL9025758 0.85 GHSR (0.58) GHSRAGTR1XIAPF7F3
SCHEMBL9109384 0.85 GHSR (0.40) GHSRAGTR1XIAPF7F3
SCHEMBL9106413 0.85 GHSR (0.41) GHSRAGTR1XIAPF7F3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
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