SCHEMBL6410632

SCHEMBL6410632

Cc1nc(C(Cc2ccc(C#N)c(F)c2)N2CCN(c3cccc4ccc(OCc5ccccc5)cc34)C(=O)C2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
FNTA P49354 3/20 0.35
PGGT1B P53609 3/20 0.35
FNTB P49356 2/20 0.35
IMPDH2 P12268 1/20 0.34
MAOB P27338 1/20 0.33
TDP2 O95551 2/20 0.32
SRD5A1 P18405 1/20 0.31
DNAJA1 P31689 1/20 0.31
AS3MT Q9HBK9 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
AOC3 Q16853 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL6411440 0.89 FNTA (0.33) HTR1AFNTAPGGT1BFNTBDNAJA1
SCHEMBL6409378 0.88 HTR1A (0.35) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7166236 0.86 FNTA (0.37) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7165181 0.81 FNTA (0.37) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6411741 0.77 FNTA (0.34) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7163140 0.76 FNTA (0.46) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7168685 0.76 FNTA (0.47) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6412093 0.73 FNTA (0.35) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6523879 0.73 FNTA (0.62) FNTAPGGT1BFNTB
SCHEMBL6526286 0.72 FNTA (0.49) HTR1AHTR1DHTR1BFNTAPGGT1B

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