SCHEMBL9105937

SCHEMBL9105937

CC(C)(CC(=O)N[C@@H]1CSc2cc(F)ccc2N(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O)NCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
AGTR1 P30556 1/20 0.37
MAPT P10636 3/20 0.36
F7 P08709 8/20 0.35
F3 P13726 8/20 0.35
F2 P00734 3/20 0.35
XIAP P98170 1/20 0.34
POLB P06746 1/20 0.34
F10 P00742 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9109295 0.93 GHSR (0.49) GHSRAGTR1MAPTF7F3
SCHEMBL9107761 0.93 GHSR (0.42) GHSRAGTR1MAPTF7F3
SCHEMBL9107337 0.93 GHSR (0.50) GHSRAGTR1MAPTF7F3
SCHEMBL9104983 0.92 GHSR (0.47) GHSRAGTR1MAPTF7F3
SCHEMBL9106352 0.92 GHSR (0.51) GHSRAGTR1MAPTF7F3
SCHEMBL9102792 0.92 GHSR (0.42) GHSRAGTR1MAPTF7F3
SCHEMBL9108780 0.92 GHSR (0.42) GHSRAGTR1MAPTF7F3
SCHEMBL8331047 0.89 GHSR (0.48) GHSRAGTR1F7F3F2
SCHEMBL9108489 0.89 GHSR (0.52) GHSRAGTR1MAPTXIAP
SCHEMBL7794434 0.89 GHSR (0.44) GHSRAGTR1F7F3F2

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