SCHEMBL8905447

SCHEMBL8905447

CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](CC(=O)c1ccc(-c2ccccc2)cc1)N(C)C(=O)COC[C@@H]1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GHSR Q92847 6/20 0.32
MMP1 P03956 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL6319415 0.91 GHSR (0.38) LTA4HSMN1; SMN2GHSRMMP1
SCHEMBL8206172 0.91 GHSR (0.38) LTA4HSMN1; SMN2GHSRMMP1
SCHEMBL6325560 0.85 CTSS (0.35) LTA4HGHSRMMP1
SCHEMBL6324899 0.82 GHSR (0.41) LTA4HGHSR
SCHEMBL6318853 0.82 DPP4 (0.33)
SCHEMBL7064795 0.82 DPP4 (0.33)
SCHEMBL6318942 0.82 LTA4H (0.38) LTA4HALDH1A1MAPTGHSR
SCHEMBL6323200 0.79 MMP3 (0.38) LTA4HGHSRMMP1
SCHEMBL8716728 0.78 LTA4H (0.34) LTA4HGHSR
SCHEMBL8716730 0.78 LTA4H (0.34) LTA4HGHSR

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-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed