SCHEMBL8905746

SCHEMBL8905746

CN(C(=O)O)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.48
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
TACR1 P25103 3/20 0.40
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
FCER2 P06734 2/20 0.39
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
MC3R P41968 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6318464 0.89 CTSB (0.45) GHSRMMP9MMP8TACR1CTSB
SCHEMBL6316677 0.88 GHSR (0.45) GHSRMMP9MMP8TACR1CTSB
SCHEMBL6318261 0.84 GHSR (0.58) GHSRMMP9MMP8TACR1CTSB
SCHEMBL6318245 0.84 GHSR (0.58) GHSRMMP9MMP8TACR1CTSB
SCHEMBL8905882 0.84 GHSR (0.49) GHSRTACR1CTSBCTSSCTSK
SCHEMBL3270974 0.83 GHSR (0.51) GHSRMMP9MMP8TACR1CTSB
SCHEMBL7065323 0.83 MMP9 (0.51) GHSRMMP9MMP8TACR1MC4R
SCHEMBL3266716 0.82 GHSR (0.47) GHSRMMP9MMP8TACR1CTSB
SCHEMBL7061723 0.82 GHSR (0.47) GHSRMMP9MMP8TACR1FCER2
SCHEMBL6321276 0.80 GHSR (0.57) GHSRCTSBCTSSCTSLCTSK

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