SCHEMBL9024562

SCHEMBL9024562

CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
AGTR1 P30556 1/20 0.58
NPY1R P25929 1/20 0.45
XIAP P98170 5/20 0.43
ACE P12821 1/20 0.42
SCN9A Q15858 2/20 0.41
CCKBR P32239 1/20 0.40

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
SCHEMBL9405609 0.92 GHSR (0.57) GHSRAGTR1NPY1RXIAPACE
SCHEMBL9024935 0.92 GHSR (0.60) GHSRAGTR1NPY1RXIAPSCN9A
SCHEMBL9026044 0.91 GHSR (0.62) GHSRAGTR1NPY1RXIAP
SCHEMBL9024735 0.91 GHSR (0.55) GHSRAGTR1NPY1RXIAPACE
SCHEMBL9023882 0.91 GHSR (0.62) GHSRAGTR1NPY1RXIAP
SCHEMBL9024583 0.91 GHSR (0.58) GHSRAGTR1NPY1RXIAPSCN9A
SCHEMBL9025019 0.90 GHSR (0.63) GHSRAGTR1NPY1RXIAP
SCHEMBL9025440 0.89 GHSR (0.61) GHSRAGTR1NPY1RXIAP
SCHEMBL9024918 0.88 GHSR (0.59) GHSRAGTR1XIAP
L-692585 SCHEMBL9025213 0.88 GHSR (0.60) 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 disclosed
WO-1995012598-A1 BENZO-FUSED MACROCYCLES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-05-11 WO 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