SCHEMBL7709322

SCHEMBL7709322

Cc1cncn1CC(=Cc1cccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)c1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
GPR132 Q9UNW8 4/20 0.36
PIN1 Q13526 1/20 0.35
C3AR1 Q16581 1/20 0.34
FOLH1 Q04609 2/20 0.34
PYGL P06737 1/20 0.33
HPGDS O60760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7709317 1.00 CA2 (0.39) CA2CA1MRGPRX4FNTAFNTB
SCHEMBL8227733 0.90 KMT2A (0.33) CA2CA1
SCHEMBL8227729 0.90 KMT2A (0.33) CA2CA1
SCHEMBL7703338 0.89 FNTA (0.48) FNTAFNTB
SCHEMBL7703335 0.89 FNTA (0.48) FNTAFNTB
SCHEMBL7703319 0.87 FNTA (0.41) FNTAFNTB
SCHEMBL7703311 0.87 FNTA (0.41) FNTAFNTB
SCHEMBL7706049 0.84 AGTR2 (0.46) CA2CA1MRGPRX4GPR132
SCHEMBL7706060 0.84 AGTR2 (0.46) CA2CA1MRGPRX4GPR132
SCHEMBL7708946 0.81 TTR (0.39) MRGPRX4KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
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