SCHEMBL7442591

SCHEMBL7442591

CC[C@@H](NC(=O)C(=O)[C@H](CC(F)(F)F)N(C=O)OC(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE2A O00408 1/20 0.35
MMP9 P14780 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL7442580 1.00 UTS2R (0.37) UTS2RSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7443197 0.89 MMP9 (0.47) UTS2RSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7443211 0.89 MMP9 (0.47) UTS2RSLC6A2SLC6A4SLC6A3PDE2A
SCHEMBL7439373 0.89 ALDH1A1 (0.37) PDE2A
SCHEMBL7430640 0.89 ALDH1A1 (0.37) PDE2A
SCHEMBL7434693 0.89 ALDH1A1 (0.37) PDE2A
SCHEMBL7434771 0.83 UTS2R (0.38) UTS2RSLC6A2SLC6A4SLC6A3GABRB1
SCHEMBL7434780 0.83 UTS2R (0.38) UTS2RSLC6A2SLC6A4SLC6A3GABRB1
SCHEMBL7444352 0.81 CTSK (0.38)
SCHEMBL7435893 0.81 CTSK (0.38)

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-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed