SCHEMBL6409378

SCHEMBL6409378

Cc1ncc(C(Cc2ccc(C#N)c(F)c2)N2CCN(c3cccc4ccc(OCc5ccccc5)cc34)C(=O)C2)[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
TDP2 O95551 2/20 0.33
MAOB P27338 1/20 0.33
DNAJA1 P31689 1/20 0.32
MCHR1 Q99705 1/20 0.32
AS3MT Q9HBK9 2/20 0.32
NSD2 O96028 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
SRD5A1 P18405 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
IMPDH2 P12268 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
SCHEMBL6411741 0.89 FNTA (0.34) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7166236 0.89 FNTA (0.37) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6410632 0.88 HTR1A (0.35) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7165181 0.84 FNTA (0.37) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7566917 0.82 BCAT2 (0.32)
SCHEMBL7168685 0.77 FNTA (0.47) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6411440 0.76 FNTA (0.33) HTR1AFNTAPGGT1BFNTBDNAJA1
SCHEMBL6412093 0.76 FNTA (0.35) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL7163140 0.76 FNTA (0.46) HTR1AHTR1DHTR1BFNTAPGGT1B
SCHEMBL6523879 0.75 FNTA (0.62) 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