SCHEMBL8143408

SCHEMBL8143408

NCC(=O)N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.41
CNR2 P34972 1/20 0.38
MME P08473 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
F2 P00734 2/20 0.37
ACE P12821 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL7727751 0.88 CHRNB2 (0.45) F2
SCHEMBL8144123 0.85 MASP2 (0.34) CTSCF2
SCHEMBL7722172 0.85 MMP2 (0.40) CTSCF2
SCHEMBL8149716 0.84 F2 (0.33) CTSCF2DPP4
Hydrochloric Acid SCHEMBL7729651 0.84 MMP2 (0.40) CTSCF2
SCHEMBL21436528 0.83 PLA2G2A (0.39) CTSCCNR2DPP8DPP9DPP7
SCHEMBL7727076 0.83 PLA2G2A (0.39) CTSCCNR2DPP8DPP9DPP7
SCHEMBL17770546 0.83 POLB (0.41) CTSCF2
Hydrochloric Acid SCHEMBL7729657 0.82 POLB (0.40) CTSCF2
SCHEMBL21436517 0.82 F2 (0.36) CTSCF2

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-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed