SCHEMBL9029609

SCHEMBL9029609

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.54
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.51
NPY1R P25929 6/20 0.47

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
SCHEMBL9025480 0.91 GHSR (0.57) XIAPGHSRAGTR1
SCHEMBL9405641 0.91 GHSR (0.57) XIAPGHSRAGTR1
SCHEMBL9694520 0.86 GHSR (0.53) XIAPGHSRAGTR1NPY1R
SCHEMBL9562955 0.86 GHSR (0.56) XIAPGHSRAGTR1
SCHEMBL9025796 0.86 GHSR (0.56) XIAPGHSRAGTR1
SCHEMBL9024460 0.85 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL9405602 0.85 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL9025165 0.85 GHSR (0.56) XIAPGHSRAGTR1NPY1R
SCHEMBL7795408 0.85 GHSR (0.56) XIAPGHSRAGTR1NPY1R
SCHEMBL9694675 0.84 XIAP (0.53) XIAPGHSRAGTR1NPY1R

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-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP claimed