SCHEMBL8206718

SCHEMBL8206718

NC(=O)CC[C@H](NC(=O)c1cccc(/C=C(/Cn2ccnc2)c2nccs2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
CYP26A1 O43174 2/20 0.35
CYP24A1 Q07973 1/20 0.34
TBXAS1 P24557 1/20 0.34
GPR132 Q9UNW8 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
SCHEMBL8206727 1.00 AGTR2 (0.44) AGTR2MRGPRX4CA2CA1F2
SCHEMBL7247123 0.89 AGTR2 (0.38) AGTR2F2F10CYP26A1
SCHEMBL8212186 0.89 FNTA (0.44) AGTR2
SCHEMBL8212192 0.89 FNTA (0.44) AGTR2
SCHEMBL7247131 0.87 AGTR2 (0.42) AGTR2CYP26A1CYP24A1TBXAS1
SCHEMBL8383788 0.87 FNTA (0.45) AGTR2
SCHEMBL8205752 0.87 FNTA (0.45) AGTR2
SCHEMBL7706049 0.85 AGTR2 (0.46) AGTR2MRGPRX4CA2CA1CYP26A1
SCHEMBL7706060 0.85 AGTR2 (0.46) AGTR2MRGPRX4CA2CA1CYP26A1
SCHEMBL7241571 0.81 TBXAS1 (0.47) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed