SCHEMBL14977965

SCHEMBL14977965

CC(C)(N)CC(=O)N[C@@H]1CCc2c(ccc3ccccc23)N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.61
AGTR1 P30556 1/20 0.61
XIAP P98170 12/20 0.36

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
SCHEMBL8523099 1.00 GHSR (0.61) GHSRAGTR1XIAP
Trifluoroacetic Acid SCHEMBL8716938 0.96 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL8717060 0.93 GHSR (0.54) GHSRAGTR1XIAP
SCHEMBL9025202 0.88 GHSR (0.62) GHSRAGTR1XIAP
SCHEMBL9024318 0.88 GHSR (0.62) GHSRAGTR1XIAP
L-158432 SCHEMBL7417293 0.87 GHSR (0.76) GHSRAGTR1XIAP
L-158432 SCHEMBL9023762 0.87 GHSR (0.76) GHSRAGTR1XIAP
SCHEMBL9024548 0.86 GHSR (0.66) GHSRAGTR1XIAP
SCHEMBL9024158 0.86 GHSR (0.66) GHSRAGTR1XIAP
SCHEMBL8909523 0.86 GHSR (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 US disclosed
US-8450268-B2 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2013-05-28 US disclosed