SCHEMBL14977964

SCHEMBL14977964

CN(C)NC(=O)[C@@H](Cc1cccs1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.72
CTSC P53634 2/20 0.42
BMP1 P13497 1/20 0.36
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL3266772 1.00 GHSR (0.72) GHSRCTSCBMP1MMP9MMP8
SCHEMBL8216536 1.00 GHSR (0.72) GHSRCTSCBMP1MMP9MMP8
SCHEMBL3266790 1.00 GHSR (0.72) GHSRCTSCBMP1MMP9MMP8
SCHEMBL29958705 1.00 GHSR (0.72) GHSRCTSCBMP1MMP9MMP8
SCHEMBL6318260 0.93 GHSR (0.73) GHSRCTSCBMP1
SCHEMBL6318254 0.93 GHSR (0.73) GHSRCTSCBMP1
SCHEMBL8177896 0.90 GHSR (0.62) GHSRMMP9MMP8
SCHEMBL29958767 0.90 GHSR (0.62) GHSRMMP9MMP8
SCHEMBL3266932 0.90 GHSR (0.62) GHSRMMP9MMP8
SCHEMBL3266938 0.90 GHSR (0.62) GHSRMMP9MMP8

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