SCHEMBL7165208

SCHEMBL7165208

N#Cc1c(Cl)cc(CC(c2cnc[nH]2)N2CCN(c3cccc4ccc(O)cc34)C(=O)C2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.33
PGGT1B P53609 5/20 0.33
FNTB P49356 3/20 0.33
DNAJA1 P31689 1/20 0.33
ADRA1A P35348 1/20 0.33
P2RX7 Q99572 2/20 0.32
HTR5A P47898 1/20 0.32
KCNH2 Q12809 2/20 0.30
CPB2 Q96IY4 1/20 0.30
CYP3A4 P08684 1/20 0.30

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 0.75 FNTA (0.35) FNTAPGGT1BFNTBDNAJA1KCNH2
SCHEMBL6416010 0.75 FNTA (0.33) FNTAPGGT1BFNTBDNAJA1
SCHEMBL7165181 0.74 FNTA (0.37) FNTAPGGT1BFNTBDNAJA1
SCHEMBL7166236 0.74 FNTA (0.37) FNTAPGGT1BFNTBDNAJA1
SCHEMBL6475716 0.73 FNTA (0.56) FNTAPGGT1BFNTB
SCHEMBL6411741 0.72 FNTA (0.34) FNTAPGGT1BFNTBDNAJA1HTR5A
SCHEMBL1683543 0.72 FNTA (0.53) FNTAPGGT1BFNTB
SCHEMBL7972250 0.72 FNTA (0.53) FNTAPGGT1BFNTB
Water SCHEMBL7194386 0.72 FNTA (0.53) FNTAPGGT1BFNTB
SCHEMBL7749673 0.72 FNTA (0.53) FNTAPGGT1BFNTBADRA1AKCNH2

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