SCHEMBL9024537

SCHEMBL9024537

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@H](O)CO)CSc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
GHSR Q92847 4/20 0.41
AGTR1 P30556 1/20 0.40
F7 P08709 4/20 0.38
F3 P13726 4/20 0.38
F2 P00734 1/20 0.38
ACE P12821 4/20 0.37
MME P08473 3/20 0.37
SRC P12931 2/20 0.35
PPARG P37231 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
SCHEMBL7794660 0.89 GHSR (0.56) XIAPGHSRAGTR1F7F3
SCHEMBL9024424 0.87 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL9105107 0.86 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9105116 0.86 GHSR (0.42) XIAPGHSRAGTR1F7F3
SCHEMBL9221689 0.86 XIAP (0.43) XIAPGHSRAGTR1F7F3
SCHEMBL7785909 0.86 GHSR (0.48) XIAPGHSRAGTR1F7F3
SCHEMBL9181252 0.85 XIAP (0.43) XIAPGHSRAGTR1F7F3
SCHEMBL9181269 0.85 XIAP (0.43) XIAPGHSRAGTR1F7F3
SCHEMBL8909563 0.85 GHSR (0.45) XIAPGHSRAGTR1
SCHEMBL7792142 0.85 GHSR (0.55) XIAPGHSRAGTR1F7F3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP claimed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP claimed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed