SCHEMBL3719170

SCHEMBL3719170

CCCN(CC(N)=O)C(C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
EPHX1 P07099 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL6201946 0.87 FDPS (0.41) FDPSEPHX1CA1CA2CA12
SCHEMBL8833635 0.83 FDPS (0.39) FDPSEPHX1CA1CA2CA12
SCHEMBL18084197 0.82 FDPS (0.38) FDPSCA2CA12CA9
SCHEMBL28847191 0.75 CA1 (0.42) EPHX1CA1CA2CA12CA9
SCHEMBL27722580 0.73 PGR (0.45) FDPSEPHX1CA1CA2
SCHEMBL1432484 0.73 PGR (0.45) FDPSEPHX1CA1CA2
SCHEMBL354320 0.73 APP (0.35) FDPSEPHX1CA1CA2CA12
SCHEMBL1432353 0.72 CA1 (0.34) FDPSEPHX1CA1CA2CA12
Palmitic Acid SCHEMBL28958123 0.72 GPR84 (0.55)
Stearic Acid SCHEMBL28069035 0.72 GPR84 (0.55)

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-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed