SCHEMBL8287948

SCHEMBL8287948

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=N)NN=N)cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.54
AGTR1 P30556 1/20 0.54
XIAP P98170 13/20 0.49
NPY1R P25929 1/20 0.42

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
SCHEMBL9405641 0.89 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL9025480 0.89 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL9405602 0.89 GHSR (0.55) GHSRAGTR1XIAP
SCHEMBL9024460 0.89 GHSR (0.55) GHSRAGTR1XIAP
SCHEMBL9024337 0.86 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9025207 0.85 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9179425 0.85 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9179437 0.85 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL7795408 0.84 GHSR (0.56) GHSRAGTR1XIAPNPY1R
SCHEMBL9106313 0.84 GHSR (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005058308-A2 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-06-30 WO disclosed