SCHEMBL6358276

SCHEMBL6358276

CC(C)C1SC=C(c2ccc(F)cc2)N(CC(=O)N[C@@H](Cc2ccccc2)C(O)C(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 3/20 0.34
CTSD P07339 1/20 0.34
ALDH1A1 P00352 3/20 0.34
OXTR P30559 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CMA1 P23946 3/20 0.33
GPR34 Q9UPC5 1/20 0.33
CTRC Q99895 1/20 0.33
PYGL P06737 1/20 0.33
BCHE P06276 1/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6348393 0.94 POLB (0.38) POLBNPSR1BACE1ALDH1A1PYGL
SCHEMBL6346809 0.90 BCHE (0.38) BACE1CTSDALDH1A1BCHEELANE
SCHEMBL6351926 0.85 OXTR (0.39) POLBALDH1A1OXTRCMA1GPR34
SCHEMBL6351923 0.85 OXTR (0.39) POLBALDH1A1OXTRCMA1GPR34
SCHEMBL6354395 0.83 POLB (0.38) POLBNPSR1BACE1CTSDALDH1A1
SCHEMBL6347131 0.79 POLB (0.39) POLBALDH1A1LMNA
SCHEMBL6347128 0.79 POLB (0.39) POLBALDH1A1LMNA
SCHEMBL6350481 0.78 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL6350484 0.78 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL6352185 0.76 BACE1 (0.37) POLBBACE1ALDH1A1PYGLBCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed