SCHEMBL3100588

SCHEMBL3100588

CCOP(=O)(CN[C@@H](CCCNC(=N)N)C(=O)NC)OCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPY4R P50391 8/20 0.32
NPY1R P25929 6/20 0.32
NPY2R P49146 5/20 0.31
NPY5R Q15761 5/20 0.31
S1PR2 O95136 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 1/20 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
SCHEMBL3095595 0.90 CA12 (0.36) FPR2CA12CA1CA2CA9
SCHEMBL3109030 0.89 CA12 (0.37) FPR2CA12CA1CA2CA9
SCHEMBL3103245 0.87 CA12 (0.38) FPR2CA12CA1CA2CA9
SCHEMBL3097941 0.85 CA12 (0.39) FPR2CA12CA1CA2CA9
SCHEMBL3098146 0.84 OTC (0.34) NPY4RNPY1RNPY2RNPY5R
SCHEMBL3105775 0.82 FPR2 (0.37) FPR2CA12CA1CA2CA9
SCHEMBL3091681 0.81 FPR2 (0.36) FPR2
SCHEMBL3097853 0.80 C3AR1 (0.43) FPR2CA12CA1CA2CA9
SCHEMBL3103384 0.79 CA12 (0.39) FPR2CA12CA1CA2CA9
SCHEMBL24293942 0.77 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed