SCHEMBL9694675

SCHEMBL9694675

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3)c(-c3nnnn3C)c2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.53
GHSR Q92847 2/20 0.50
AGTR1 P30556 1/20 0.50
NPY1R P25929 6/20 0.43

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
SCHEMBL9025874 0.93 GHSR (0.57) XIAPGHSRAGTR1
SCHEMBL9694520 0.87 GHSR (0.53) XIAPGHSRAGTR1NPY1R
SCHEMBL9024956 0.85 GHSR (0.55) XIAPGHSRAGTR1NPY1R
SCHEMBL9029609 0.84 XIAP (0.54) XIAPGHSRAGTR1NPY1R
SCHEMBL9025138 0.81 GHSR (0.73) XIAPGHSRAGTR1NPY1R
L-692585 SCHEMBL9024978 0.81 GHSR (0.60) XIAPGHSRAGTR1
L-692585 SCHEMBL9025213 0.81 GHSR (0.60) XIAPGHSRAGTR1
L-692585 SCHEMBL7474014 0.81 GHSR (0.60) XIAPGHSRAGTR1
SCHEMBL9091279 0.80 GHSR (0.57) XIAPGHSRAGTR1
SCHEMBL9024337 0.80 GHSR (0.58) XIAPGHSRAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed