SCHEMBL6416010

SCHEMBL6416010

N#Cc1cc(CC(c2cnc[nH]2)N2CCN(c3cccc4ccc(OC(=O)C(F)(F)F)cc34)C(=O)C2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.33
PGGT1B P53609 4/20 0.33
FNTB P49356 3/20 0.33
DNAJA1 P31689 1/20 0.33
GPR52 Q9Y2T5 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL6412093 0.95 FNTA (0.35) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7165181 0.87 FNTA (0.37) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7166236 0.82 FNTA (0.37) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL6410659 0.81 FNTA (0.33) FNTAPGGT1BFNTB
SCHEMBL6416690 0.79 FNTA (0.34) FNTAPGGT1BFNTB
SCHEMBL7168234 0.78 FNTA (0.54) FNTAPGGT1BFNTB
SCHEMBL6413197 0.75 FPR1 (0.32) FNTAPGGT1BFNTB
SCHEMBL7165208 0.75 FNTA (0.33) FNTAPGGT1BFNTBDNAJA1
SCHEMBL7532834 0.73 FNTA (0.43) FNTAPGGT1BFNTB
Trifluoroacetic Acid SCHEMBL6410657 0.72 FNTA (0.34) FNTAPGGT1BFNTB

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed