SCHEMBL8712529

SCHEMBL8712529

CCC(N)COCC(=O)N(C)[C@H](Cc1csc2ccccc12)C(=O)N(C)CC(C(=O)NC)c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
TACR1 P25103 1/20 0.33
OPRD1 P41143 3/20 0.32
KLKB1 P03952 3/20 0.32
KLK1 P06870 2/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.31
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
SCHEMBL8918072 0.86 KLKB1 (0.34) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6323433 0.86 MMP2 (0.36) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6317679 0.81 MMP2 (0.37) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL8906579 0.79 MMP2 (0.35) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6318098 0.79 MMP2 (0.36) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6319663 0.78 KLKB1 (0.40) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL7063361 0.76 MMP2 (0.35) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6323968 0.74 TACR1 (0.37) MMP2MMP9MMP8TACR1OPRD1
SCHEMBL6325109 0.70 CYP1A2 (0.35) MMP2KLKB1KLK1CTSK
SCHEMBL6318940 0.69 MMP12 (0.38) MMP2MMP9MMP8TACR1KLKB1

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
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed