SCHEMBL8905226

SCHEMBL8905226

CNC(=O)[C@@H](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H](Cc1csc2ccccc12)NC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
KLKB1 P03952 4/20 0.43
KLK1 P06870 3/20 0.43
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
TACR1 P25103 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP1 P03956 8/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MMP3 P08254 2/20 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
SCHEMBL6317894 0.90 MMP2 (0.48) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL6319054 0.90 MMP2 (0.48) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL8904944 0.82 MMP2 (0.46) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL6318207 0.81 KLKB1 (0.39) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL6320132 0.80 GHSR (0.46) KLKB1KLK1OPRM1OPRD1OPRK1
SCHEMBL6320121 0.80 GHSR (0.46) KLKB1KLK1OPRM1OPRD1OPRK1
SCHEMBL6319663 0.80 KLKB1 (0.40) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL6319699 0.80 KLKB1 (0.43) MMP9MMP2MMP8KLKB1KLK1
SCHEMBL8905784 0.80 MMP1 (0.48) MMP9MMP2MMP8CTSLCTSS
SCHEMBL6319176 0.79 KLKB1 (0.37) MMP9MMP2MMP8KLKB1KLK1

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