SCHEMBL9117873

SCHEMBL9117873

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(CNC(=O)c2ccccc2-c2ccccc2)C1=O)NCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
XIAP P98170 1/20 0.39
F7 P08709 4/20 0.39
F3 P13726 4/20 0.39
F2 P00734 1/20 0.39
MME P08473 3/20 0.37
ACE P12821 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
RIPK1 Q13546 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9105107 0.89 GHSR (0.42) NPSR1GAAALDH1A1XIAPF7
SCHEMBL9105116 0.89 GHSR (0.42) NPSR1GAAALDH1A1XIAPF7
SCHEMBL9119997 0.86 XIAP (0.45) NPSR1ALDH1A1XIAPF7F3
SCHEMBL9105221 0.85 GHSR (0.42) XIAPF7F3F2MME
SCHEMBL9105226 0.85 GHSR (0.42) XIAPF7F3F2MME
SCHEMBL9117870 0.82 F7 (0.38) ALDH1A1XIAPF7F3F2
SCHEMBL9119359 0.81 NPSR1 (0.42) NPSR1GAAALDH1A1HSD17B10L3MBTL1
SCHEMBL9104983 0.81 GHSR (0.47) XIAPF7F3F2POLB
SCHEMBL9105564 0.80 GHSR (0.54) XIAPF7F3F2MME
SCHEMBL9109384 0.80 GHSR (0.40) XIAPF7F3F2MME

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 1 patent. 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 disclosed