SCHEMBL9107761

SCHEMBL9107761

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.37
F7 P08709 8/20 0.36
F3 P13726 8/20 0.36
F2 P00734 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
XIAP P98170 1/20 0.34
F10 P00742 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9102858 0.93 GHSR (0.49) GHSRAGTR1F7F3F2
SCHEMBL9105937 0.93 GHSR (0.43) GHSRAGTR1F7F3F2
SCHEMBL9104591 0.93 GHSR (0.49) GHSRAGTR1F7F3F2
SCHEMBL9104172 0.92 GHSR (0.50) GHSRAGTR1F7F3F2
SCHEMBL9104983 0.92 GHSR (0.47) GHSRAGTR1F7F3F2
SCHEMBL9108780 0.91 GHSR (0.42) GHSRAGTR1F7F3F2
SCHEMBL9102792 0.91 GHSR (0.42) GHSRAGTR1F7F3F2
SCHEMBL9105727 0.90 GHSR (0.51) GHSRAGTR1GAAXIAP
SCHEMBL7785960 0.89 GHSR (0.47) GHSRAGTR1F7F3F2
SCHEMBL7792068 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 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