SCHEMBL9119359

SCHEMBL9119359

CSc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2CNC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
GHSR Q92847 4/20 0.36
AGTR1 P30556 1/20 0.36
XIAP P98170 3/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9107971 0.90 GHSR (0.46) NPSR1ALDH1A1HPGDGAAGHSR
SCHEMBL9107966 0.90 GHSR (0.46) NPSR1ALDH1A1HPGDGAAGHSR
SCHEMBL9120215 0.88 GHSR (0.41) NPSR1ALDH1A1HPGDGHSRAGTR1
SCHEMBL9108460 0.87 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL9037178 0.87 GHSR (0.46) GHSRAGTR1XIAP
SCHEMBL9119353 0.84 GHSR (0.38) GHSRAGTR1XIAP
SCHEMBL9108441 0.83 GHSR (0.51) GHSRAGTR1XIAP
SCHEMBL9105393 0.82 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9106020 0.82 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9104298 0.81 GHSR (0.59) GHSRAGTR1XIAP

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