SCHEMBL7934029

SCHEMBL7934029

N#Cc1ccc(Cn2cncc2CNC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.82
FNTB P49356 20/20 0.82
PGGT1B P53609 12/20 0.82
KCNH2 Q12809 2/20 0.73

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
SCHEMBL7934020 1.00 FNTA (0.82) FNTAFNTBPGGT1BKCNH2
SCHEMBL7937393 1.00 FNTA (0.82) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933879 0.86 FNTA (0.81) FNTAFNTBPGGT1BKCNH2
Trifluoroacetic Acid SCHEMBL7927484 0.86 FNTA (0.91) FNTAFNTBPGGT1BKCNH2
SCHEMBL7933819 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7939465 0.84 FNTA (0.68) FNTAFNTBPGGT1BKCNH2
SCHEMBL7939464 0.84 FNTA (0.68) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936919 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936914 0.84 FNTA (1.00) FNTAFNTBPGGT1BKCNH2
SCHEMBL7937504 0.83 FNTA (0.87) FNTAFNTBPGGT1BKCNH2

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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed