SCHEMBL8716728

SCHEMBL8716728

CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)C(Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)COCC(C)(C)N.CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)COC[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.34
GHSR Q92847 6/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HTR5A P47898 1/20 0.32
CTSC P53634 1/20 0.32
MMP3 P08254 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL8716730 1.00 LTA4H (0.34) LTA4HGHSRITGB3ITGA2BHTR5A
SCHEMBL6318942 0.93 LTA4H (0.38) LTA4HGHSRITGB3ITGA2BCTSC
SCHEMBL6323200 0.88 MMP3 (0.38) LTA4HGHSRMMP3
SCHEMBL6323718 0.88 GHSR (0.41) GHSRMMP3
SCHEMBL8206172 0.87 GHSR (0.38) LTA4HGHSRCTSC
SCHEMBL6319415 0.87 GHSR (0.38) LTA4HGHSRCTSC
SCHEMBL6323311 0.86 CHRM3 (0.34) LTA4HGHSRCTSCMMP3
SCHEMBL7162631 0.85 GHSR (0.37) LTA4HGHSRITGB3ITGA2B
SCHEMBL6317890 0.84 TACR1 (0.40) LTA4HGHSR
SCHEMBL6325620 0.83 GHSR (0.37) LTA4HGHSRITGB3ITGA2B

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-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed