SCHEMBL9024591

SCHEMBL9024591

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.46
XIAP P98170 2/20 0.42
ACE P12821 4/20 0.37
MME P08473 3/20 0.37
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 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
SCHEMBL9025080 1.00 GHSR (0.46) GHSRAGTR1XIAPACEMME
SCHEMBL14288709 0.89 GHSR (0.58) GHSRAGTR1XIAPACEMME
SCHEMBL9025758 0.89 GHSR (0.58) GHSRAGTR1XIAPACEMME
SCHEMBL9088933 0.88 GHSR (0.46) GHSRAGTR1XIAPACEMME
SCHEMBL9089069 0.88 GHSR (0.43) GHSRAGTR1XIAPACEMME
SCHEMBL9107917 0.88 GHSR (0.45) GHSRAGTR1XIAPACEMME
L-692585 SCHEMBL9024978 0.87 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL9025213 0.87 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL7474014 0.87 GHSR (0.60) GHSRAGTR1XIAP
SCHEMBL9024459 0.86 GHSR (0.46) 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 6 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-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