SCHEMBL8495773

SCHEMBL8495773

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.55
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44
MAOB P27338 1/20 0.44
NPY4R P50391 3/20 0.42
NPY1R P25929 2/20 0.42
TPSAB1 Q15661 1/20 0.42
NPY2R P49146 1/20 0.42
NPY5R Q15761 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL7355085 1.00 PTGER4 (0.55) PTGER4CTSLCTSBCTSSCTSK
SCHEMBL5419016 1.00 PTGER4 (0.55) PTGER4CTSLCTSBCTSSCTSK
SCHEMBL4413420 0.97 PTGER4 (0.58) PTGER4CTSLCTSSMAOBTPSAB1
SCHEMBL7358758 0.97 PTGER4 (0.58) PTGER4CTSLCTSSMAOBTPSAB1
SCHEMBL7698946 0.92 PTGER4 (0.53) PTGER4CTSLCTSBCTSSCTSK
SCHEMBL537968 0.88 PTGER4 (0.55) PTGER4MAOBTPSAB1ITGB3ITGAV
SCHEMBL9022219 0.87 PTGER4 (0.46) PTGER4MAOBNPY4RNPY1RNPY2R
SCHEMBL8903646 0.87 CCKBR (0.45) PTGER4CTSLCTSBCTSSCTSK
SCHEMBL7402070 0.86 PTGER4 (0.44) PTGER4MAOBNPY4RNPY1RNPY2R
SCHEMBL7402074 0.86 PTGER4 (0.44) PTGER4MAOBNPY4RNPY1RNPY2R

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-5863775-A ADMINISTERING TO ANIMAL, AS MEDICAMENT OR FOOD, ANTI-PARASITIC PROTEIN WHICH IS INHIBITOR OF ENZYME OF SAID PARASITE THE UNIVERSITY OF LEEDS (GB) 1999-01-26 US disclosed