SCHEMBL7165181

SCHEMBL7165181

N#Cc1cc(CC(c2cnc[nH]2)N2CCN(c3cccc4ccc(OCc5ccccc5)cc34)C(=O)C2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.37
PGGT1B P53609 4/20 0.37
FNTB P49356 4/20 0.37
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
IMPDH2 P12268 1/20 0.33
DNAJA1 P31689 1/20 0.33
PLA2G7 Q13093 3/20 0.32
IP6K1 Q92551 1/20 0.32
MAOB P27338 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
GRM5 P41594 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
SCHEMBL7166236 0.95 FNTA (0.37) FNTAPGGT1BFNTBHTR1AHTR1D
SCHEMBL6416010 0.87 FNTA (0.33) FNTAPGGT1BFNTBHTR1AHTR1D
SCHEMBL6409378 0.84 HTR1A (0.35) FNTAPGGT1BFNTBHTR1AHTR1D
SCHEMBL6416078 0.82 FNTA (0.36) FNTAPGGT1BFNTB
SCHEMBL6412093 0.82 FNTA (0.35) FNTAPGGT1BFNTBHTR1AHTR1D
SCHEMBL6410632 0.81 HTR1A (0.35) FNTAPGGT1BFNTBHTR1AHTR1D
Hydrochloric Acid SCHEMBL6469829 0.81 FNTA (0.38) FNTAPGGT1BFNTB
SCHEMBL6448742 0.78 FNTA (0.37) FNTAPGGT1BFNTB
SCHEMBL3500420 0.78 FNTA (0.62) FNTAPGGT1BFNTB
Hydrochloric Acid SCHEMBL7592960 0.77 FNTA (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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