SCHEMBL8906236

SCHEMBL8906236

CNC(=O)[C@@H](Cc1ccccc1F)NC(=O)CCc1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.55
MMP8 P22894 6/20 0.55
MMP2 P08253 5/20 0.55
TACR1 P25103 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.39
PIN1 Q13526 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
PYGL P06737 1/20 0.38
MTNR1A P48039 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2B P29275 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL8906141 0.86 MMP8 (0.55) MMP9MMP8MMP2TACR1CTSS
SCHEMBL8905827 0.84 MMP2 (0.52) MMP9MMP8MMP2TACR1CTSS
SCHEMBL8904930 0.78 PTPN2 (0.51) MMP9MMP8MMP2CTSSCTSK
SCHEMBL8906233 0.76 MMP2 (0.46) MMP9MMP8MMP2TACR1CTSS
SCHEMBL760986 0.74 MMP2 (0.60) MMP9MMP8MMP2TACR1CTSS
SCHEMBL13956910 0.73 KMT2A (0.54) MMP9MMP8MMP2TACR1CTSS
SCHEMBL5556628 0.72 CTSS (0.76) MMP9MMP8MMP2TACR1CTSS
SCHEMBL13494599 0.72 CTSS (0.46) CTSSCTSKMMP1
SCHEMBL6318014 0.72 CTSS (0.46) CTSSCTSKMMP1
SCHEMBL28740722 0.72 CTSS (0.46) CTSSCTSKMMP1

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