SCHEMBL9107656

SCHEMBL9107656

CC(C)(CC(=O)N[C@@H]1CSc2cc(F)ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
AGTR1 P30556 3/20 0.41
MAPT P10636 3/20 0.33
XIAP P98170 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL9107707 0.94 GHSR (0.41) GHSRAGTR1MAPTXIAPTP53
SCHEMBL9107917 0.93 GHSR (0.45) GHSRAGTR1MAPTXIAPTP53
SCHEMBL9103073 0.92 GHSR (0.40) GHSRAGTR1MAPTXIAPTP53
SCHEMBL9109512 0.89 GHSR (0.49) GHSRAGTR1MAPTXIAP
SCHEMBL9105693 0.85 GHSR (0.44) GHSRAGTR1XIAPF7F3
SCHEMBL9105937 0.85 GHSR (0.43) GHSRAGTR1MAPTXIAPTP53
SCHEMBL9109295 0.84 GHSR (0.49) GHSRAGTR1MAPTXIAPTP53
SCHEMBL9105861 0.84 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9107731 0.84 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9107337 0.84 GHSR (0.50) GHSRAGTR1MAPTXIAPTP53

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