SCHEMBL9405609

SCHEMBL9405609

CC(C)(C)OC(=O)NCCC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.57
NPY1R P25929 1/20 0.47
XIAP P98170 5/20 0.45
ACE P12821 1/20 0.44
SCN9A Q15858 2/20 0.43
CCKBR P32239 1/20 0.41

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
SCHEMBL9024735 0.96 GHSR (0.55) GHSRAGTR1NPY1RXIAPACE
SCHEMBL9024583 0.93 GHSR (0.58) GHSRAGTR1NPY1RXIAPSCN9A
SCHEMBL9024562 0.92 GHSR (0.58) GHSRAGTR1NPY1RXIAPACE
SCHEMBL9024935 0.89 GHSR (0.60) GHSRAGTR1NPY1RXIAPSCN9A
SCHEMBL9024231 0.88 GHSR (0.54) GHSRAGTR1NPY1RXIAPSCN9A
SCHEMBL9025743 0.87 ACE (0.52) GHSRAGTR1XIAPACESCN9A
SCHEMBL9024847 0.87 GHSR (0.66) GHSRAGTR1NPY1RXIAP
SCHEMBL9405564 0.86 GHSR (0.60) GHSRAGTR1NPY1RXIAP
L-158432 SCHEMBL9023762 0.85 GHSR (0.76) GHSRAGTR1NPY1RXIAP
L-158432 SCHEMBL7417293 0.85 GHSR (0.76) GHSRAGTR1NPY1RXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed