SCHEMBL6411440

SCHEMBL6411440

Cc1nc(C(Cc2ccc(C#N)c(F)c2)N2CCN(c3cccc4ccc(O)cc34)C(=O)C2)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.33
PGGT1B P53609 5/20 0.33
FNTB P49356 4/20 0.33
DNAJA1 P31689 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
HTR5A P47898 1/20 0.33
DAO P14920 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
AOC3 Q16853 1/20 0.31
KCNH2 Q12809 2/20 0.30
CYP3A4 P08684 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL6410632 0.89 HTR1A (0.35) FNTAPGGT1BFNTBDNAJA1HTR1A
SCHEMBL6411741 0.86 FNTA (0.34) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL6409378 0.76 HTR1A (0.35) FNTAPGGT1BFNTBDNAJA1HTR1A
SCHEMBL6412093 0.74 FNTA (0.35) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7166236 0.74 FNTA (0.37) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7161933 0.74 FNTA (0.40) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7168181 0.72 FNTA (0.41) FNTAPGGT1BFNTBDNAJA1GPR52
SCHEMBL7165208 0.70 FNTA (0.33) FNTAPGGT1BFNTBDNAJA1HTR5A
SCHEMBL7164493 0.70 FNTA (0.54) FNTAPGGT1BFNTBDNAJA1
SCHEMBL6416010 0.69 FNTA (0.33) FNTAPGGT1BFNTBDNAJA1GPR52

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