SCHEMBL7791696

SCHEMBL7791696

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.41
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.38
ACE P12821 4/20 0.35
MME P08473 3/20 0.35
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
GAA P10253 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
SCHEMBL7785876 0.89 GHSR (0.47) XIAPGHSRAGTR1ACEMME
SCHEMBL9108628 0.89 GHSR (0.37) XIAPGHSRAGTR1F7F3
SCHEMBL7794433 0.88 XIAP (0.47) XIAPGHSRAGTR1ACEMME
SCHEMBL7791538 0.88 GHSR (0.50) XIAPGHSRAGTR1
SCHEMBL9389003 0.87 GHSR (0.37) XIAPGHSRAGTR1ALDH1A1GAA
SCHEMBL9389007 0.87 GHSR (0.37) XIAPGHSRAGTR1ALDH1A1GAA
SCHEMBL7785751 0.87 GHSR (0.45) XIAPGHSRAGTR1ACEMME
SCHEMBL9090152 0.84 XIAP (0.41) XIAPGHSRAGTR1ACEMME
SCHEMBL7785727 0.83 GHSR (0.43) XIAPGHSRAGTR1
SCHEMBL9218242 0.83 XIAP (0.45) XIAPGHSRAGTR1ACEMME

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-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP claimed
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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO 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
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5283241-A Animal growth regulators MERCK & CO., INC. (US) 1994-02-01 US disclosed