SCHEMBL7795736

SCHEMBL7795736

CNC(=O)OCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@H](O)CO)CSc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.39
F7 P08709 4/20 0.36
F3 P13726 4/20 0.36
F2 P00734 1/20 0.36
MME P08473 3/20 0.35
ACE P12821 3/20 0.35
SRC P12931 3/20 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
SCHEMBL7791803 0.94 XIAP (0.44) XIAPGHSRAGTR1F7F3
SCHEMBL8331115 0.89 GHSR (0.46) XIAPGHSRAGTR1F7F3
SCHEMBL7792142 0.89 GHSR (0.55) XIAPGHSRAGTR1F7F3
SCHEMBL7791878 0.88 GHSR (0.49) XIAPGHSRAGTR1F7F3
SCHEMBL7792105 0.87 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL7785909 0.87 GHSR (0.48) XIAPGHSRAGTR1F7F3
SCHEMBL7792158 0.86 XIAP (0.45) XIAPGHSRAGTR1F7F3
SCHEMBL7795969 0.85 GHSR (0.57) XIAPGHSRAGTR1F7F3
SCHEMBL7794660 0.85 GHSR (0.56) XIAPGHSRAGTR1F7F3
SCHEMBL7786108 0.85 XIAP (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US claimed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed