SCHEMBL6409872

SCHEMBL6409872

CS(=O)(=O)CCC1CN(c2cc(Cl)ccc2-c2cccc(OC(=O)C(F)(F)F)c2)C(=O)CN1[C@@H](Cc1ccc(C#N)c(F)c1)c1cnc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
TRPV4 Q9HBA0 2/20 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
Hydrochloric Acid SCHEMBL6413043 0.89 FNTA (0.34) FNTAFNTBTRPV4
SCHEMBL6410659 0.85 FNTA (0.33) FNTAFNTB
Hydrochloric Acid SCHEMBL6416653 0.83 FNTA (0.34) FNTAFNTB
SCHEMBL7160559 0.82 FNTA (0.46) FNTAFNTB
SCHEMBL6416690 0.76 FNTA (0.34) FNTAFNTB
Trifluoroacetic Acid SCHEMBL6410657 0.75 FNTA (0.34) FNTAFNTB
Hydrochloric Acid SCHEMBL6469829 0.74 FNTA (0.38) FNTAFNTB
Trifluoroacetic Acid SCHEMBL7160557 0.73 FNTA (0.47) FNTAFNTB
SCHEMBL3684995 0.72 FNTA (0.56) FNTAFNTB
SCHEMBL3501299 0.72 FNTA (0.56) FNTAFNTB

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