SCHEMBL8918072

SCHEMBL8918072

CCC(N)COCC(=O)N(C)[C@H](Cc1csc2ccccc12)C(=O)N(C)CC(C(=O)NC)c1ccc(OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.34
KLK1 P06870 2/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
OPRD1 P41143 3/20 0.32
TACR1 P25103 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.30
MMP1 P03956 1/20 0.30
RORC P51449 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRK1 P41145 2/20 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
SCHEMBL8712529 0.86 MMP2 (0.34) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6319663 0.86 KLKB1 (0.40) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6317679 0.80 MMP2 (0.37) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6323433 0.79 MMP2 (0.36) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6318098 0.78 MMP2 (0.36) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL7063361 0.76 MMP2 (0.35) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6318207 0.75 KLKB1 (0.39) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL8712433 0.72 KLKB1 (0.41) KLKB1KLK1MMP2MMP9MMP1
SCHEMBL6324563 0.71 MMP3 (0.43) KLKB1KLK1MMP2MMP9CTSK
SCHEMBL6316746 0.70 MMP1 (0.41) MMP9TACR1CTSLCTSSPOLB

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 claimed